Sunday, July 31, 2011

http://ChemLookup.com Compounds




CAS RN: 6199-47-9
CAS Name: 1-[9-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]nonyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[9-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]nonyl]urea chloride
IUPAC Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[9-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]nonyl]urea chloride
SYSTEMATIC NAME: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[9-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]nonyl]urea chloride
MOLECULAR FORMULA: C29H40ClN8O2-
MOLECULAR WEIGHT: 568.1333
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NCCCCCCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCN4.[Cl-]
Structure:

CAS RN: 5737-47-3
CAS Name: 1-[7-[[oxo-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]amino]heptyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[7-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]heptyl]urea chloride
IUPAC Name: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[7-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]heptyl]urea chloride
SYSTEMATIC NAME: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[7-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]heptyl]urea chloride
MOLECULAR FORMULA: C29H40ClN8O2-
MOLECULAR WEIGHT: 568.1333
SMILES: C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)NCCCCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCCN4.[Cl-]
Structure:

CAS RN: 5726-62-5
CAS Name: 1-[7-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]heptyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[7-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]heptyl]urea chloride
IUPAC Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[7-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]heptyl]urea chloride
SYSTEMATIC NAME: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[7-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]heptyl]urea chloride
MOLECULAR FORMULA: C27H36ClN8O2-
MOLECULAR WEIGHT: 540.08014
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NCCCCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCN4.[Cl-]
Structure:

CAS RN: 5726-61-4
CAS Name: 1-[6-[[oxo-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]amino]hexyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[6-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]hexyl]urea chloride
IUPAC Name: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[6-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]hexyl]urea chloride
SYSTEMATIC NAME: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[6-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]hexyl]urea chloride
MOLECULAR FORMULA: C28H38ClN8O2-
MOLECULAR WEIGHT: 554.10672
SMILES: C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)NCCCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCCN4.[Cl-]
Structure:

CAS RN: 6124-49-8
CAS Name: 1-[6-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]hexyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[6-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]hexyl]urea chloride
IUPAC Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[6-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]hexyl]urea chloride
SYSTEMATIC NAME: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[6-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]hexyl]urea chloride
MOLECULAR FORMULA: C26H34ClN8O2-
MOLECULAR WEIGHT: 526.05356
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NCCCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCN4.[Cl-]
Structure:

CAS RN: 5737-46-2
CAS Name: 1-[4-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]butyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]butyl]urea chloride
IUPAC Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]butyl]urea chloride
SYSTEMATIC NAME: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]butyl]urea chloride
MOLECULAR FORMULA: C24H30ClN8O2-
MOLECULAR WEIGHT: 498.0004
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCN4.[Cl-]
Structure:

CAS RN: 5726-65-8
CAS Name: 1-[2-hydroxy-3-[[oxo-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]amino]propyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[2-hydroxy-3-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]propyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
IUPAC Name: 1-[2-hydroxy-3-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]propyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
SYSTEMATIC NAME: 1-[2-oxidanyl-3-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]propyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
MOLECULAR FORMULA: C25H32ClN8O3-
MOLECULAR WEIGHT: 528.02638
SMILES: C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)NCC(CNC(=O)NC3=CC=C(C=C3)C4=NCCCN4)O.[Cl-]
Structure:

CAS RN: 92331-45-8
CAS Name: N-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
OPENEYE Name: N-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
IUPAC Name: N-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
SYSTEMATIC NAME: N-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
MOLECULAR FORMULA: C14H23ClNO3-
MOLECULAR WEIGHT: 288.79032
SMILES: CCN(CC)CC1=CC(=C(C(=C1)OC)OC)OC.[Cl-]
Structure:

CAS RN: 2923-84-4
CAS Name: 2-fluoro-N-(2-fluoroethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
OPENEYE Name: 2-fluoro-N-(2-fluoroethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
IUPAC Name: 2-fluoro-N-(2-fluoroethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
SYSTEMATIC NAME: 2-fluoranyl-N-(2-fluoranylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine chloride
MOLECULAR FORMULA: C14H21ClF2NO3-
MOLECULAR WEIGHT: 324.771246
SMILES: COC1=CC(=CC(=C1OC)OC)CN(CCF)CCF.[Cl-]
Structure:

CAS RN: 3137-58-4
CAS Name: 6-hydrazinylpyrimidine-4,5-diamine chloride
OPENEYE Name: 6-hydrazinopyrimidine-4,5-diamine chloride
IUPAC Name: 6-hydrazinylpyrimidine-4,5-diamine chloride
SYSTEMATIC NAME: 6-diazanylpyrimidine-4,5-diamine chloride
MOLECULAR FORMULA: C4H8ClN6-
MOLECULAR WEIGHT: 175.59952
SMILES: C1=NC(=C(C(=N1)NN)N)N.[Cl-]
Structure:

CAS RN: 23826-47-3
CAS Name: 2-(methylamino)-1-phenylethanone chloride
OPENEYE Name: 2-(methylamino)-1-phenyl-ethanone chloride
IUPAC Name: 2-(methylamino)-1-phenylethanone chloride
SYSTEMATIC NAME: 2-(methylamino)-1-phenyl-ethanone chloride
MOLECULAR FORMULA: C9H11ClNO-
MOLECULAR WEIGHT: 184.64274
SMILES: CNCC(=O)C1=CC=CC=C1.[Cl-]
Structure:

CAS RN: 20585-49-3
CAS Name: 2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol chloride
OPENEYE Name: 2-(6-aminopurin-9-yl)-6-methyl-tetrahydropyran-3,4,5-triol chloride
IUPAC Name: 2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol chloride
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-6-methyl-oxane-3,4,5-triol chloride
MOLECULAR FORMULA: C11H15ClN5O4-
MOLECULAR WEIGHT: 316.7209
SMILES: CC1C(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O.[Cl-]
Structure:

CAS RN: 19992-67-7
CAS Name: 2-[bis(4-fluorophenyl)methylideneamino]guanidine chloride
OPENEYE Name: 2-[bis(4-fluorophenyl)methyleneamino]guanidine chloride
IUPAC Name: 2-[bis(4-fluorophenyl)methylideneamino]guanidine chloride
SYSTEMATIC NAME: 2-[bis(4-fluorophenyl)methylideneamino]guanidine chloride
MOLECULAR FORMULA: C14H12ClF2N4-
MOLECULAR WEIGHT: 309.721686
SMILES: C1=CC(=CC=C1C(=NN=C(N)N)C2=CC=C(C=C2)F)F.[Cl-]
Structure:

CAS RN: 60250-98-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H31ClN2O4
MOLECULAR WEIGHT: 374.90274
SMILES: CC1CCCC(N1C(=O)OCC23COC4(N2C(CC4)(OC3)C)C)C.Cl
Structure:

CAS RN: 17083-38-4
CAS Name: boron; methyl(trioctyl)ammonium
OPENEYE Name: boron; methyl(trioctyl)ammonium
IUPAC Name: boron; methyl(trioctyl)azanium
SYSTEMATIC NAME: boron; methyl(trioctyl)azanium
MOLECULAR FORMULA: C25H54BN+
MOLECULAR WEIGHT: 379.51396
SMILES: [B].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
Structure:

CAS RN: 19710-01-1
CAS Name: boron; hexadecyl(trimethyl)ammonium
OPENEYE Name: boron; hexadecyl(trimethyl)ammonium
IUPAC Name: boron; hexadecyl(trimethyl)azanium
SYSTEMATIC NAME: boron; hexadecyl(trimethyl)azanium
MOLECULAR FORMULA: C19H42BN+
MOLECULAR WEIGHT: 295.35448
SMILES: [B].CCCCCCCCCCCCCCCC[N+](C)(C)C
Structure:

CAS RN: 2607-31-0
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine hydrochloride
OPENEYE Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C19H22Cl2N2OS
MOLECULAR WEIGHT: 397.36178
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.Cl
Structure:

CAS RN: 3121-60-6
CAS Name: 4-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-2-methoxybenzenesulfonic acid; sodium
OPENEYE Name: 4-hydroxy-5-(2-hydroxy-4-methoxy-benzoyl)-2-methoxy-benzenesulfonic acid; sodium
IUPAC Name: 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid; sodium
SYSTEMATIC NAME: 2-methoxy-5-(4-methoxy-2-oxidanyl-phenyl)carbonyl-4-oxidanyl-benzenesulfonic acid; sodium
MOLECULAR FORMULA: C15H14NaO8S
MOLECULAR WEIGHT: 377.32163
SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O)O.[Na]
Structure:

CAS RN: 4129-17-3
CAS Name: [azido(phenyl)phosphoryl]benzene
OPENEYE Name: [azido(phenyl)phosphoryl]benzene
IUPAC Name: [azido(phenyl)phosphoryl]benzene
SYSTEMATIC NAME: [azido(phenyl)phosphoryl]benzene
MOLECULAR FORMULA: C12H10N3OP
MOLECULAR WEIGHT: 243.201061
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N=[N+]=[N-]
Structure:

CAS RN: 89179-34-0
CAS Name: carbamimidothioic acid 2-aminooxyethyl ester bromide
OPENEYE Name: 2-(2-aminooxyethyl)isothiourea bromide
IUPAC Name: 2-aminooxyethyl carbamimidothioate bromide
SYSTEMATIC NAME: 2-azanyloxyethyl carbamimidothioate bromide
MOLECULAR FORMULA: C3H9BrN3OS-
MOLECULAR WEIGHT: 215.09206
SMILES: C(CSC(=N)N)ON.[Br-]
Structure:

CAS RN: 6080-33-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23ClNO4-
MOLECULAR WEIGHT: 364.84322
SMILES: CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC.[Cl-]
Structure:

CAS RN: 637-23-0
CAS Name: benzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester chloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate chloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate chloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate chloride
MOLECULAR FORMULA: C15H19ClNO2-
MOLECULAR WEIGHT: 280.76986
SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC=CC=C3.[Cl-]
Structure:

CAS RN: 8014-91-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C80H58N16NaO20S4-2
MOLECULAR WEIGHT: 1714.66149
SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=CC(=C3)N=NC4=CC(=CC5=C(C=C(C=C45)S(=O)(=O)O)N=NC6=CC(=C(C=C6)O)N=NC7=CC=C(C8=CC=CC=C87)N=NC9=CC=C(C=C9)C1=CC=C(C=C1)NNC1=CC(=C(C=C1)O)C(=O)O)S(=O)(=O)O)O)N=NC1=CC=C(C=C1)C1=CC=C(C=C1)NNC1=CC(=C(C=C1)O)C(=O)O.OS(=O)[O-].OS(=
Structure:

CAS RN: 6745-67-1
CAS Name: 4-amino-3-[4-(2,4-diamino-5-methylphenyl)azophenyl]azo-6-[[4-(2,4-diamino-5-methylphenyl)azophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid; sodium
OPENEYE Name: 4-amino-3-[4-(2,4-diamino-5-methyl-phenyl)azophenyl]azo-6-[[4-(2,4-diamino-5-methyl-phenyl)azophenyl]hydrazono]-5-oxo-naphthalene-2,7-disulfonic acid; sodium
IUPAC Name: 4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid; sodium
SYSTEMATIC NAME: 4-azanyl-3-[[4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]phenyl]diazenyl]-6-[[4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonic acid; sodium
MOLECULAR FORMULA: C36H33N13NaO7S2
MOLECULAR WEIGHT: 846.84989
SMILES: CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)NN=C3C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)N=NC6=C(C=C(C(=C6)C)N)N)S(=O)(=O)O)S(=O)(=O)O.[Na]
Structure:

CAS RN: 5850-16-8
CAS Name: 4-[2-[4,6-dioxo-5-[(4-sulfo-1-naphthalenyl)hydrazinylidene]-1-cyclohex-2-enylidene]hydrazinyl]-1-naphthalenesulfonic acid; sodium
OPENEYE Name: 4-[2-[4,6-dioxo-5-[(4-sulfo-1-naphthyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]naphthalene-1-sulfonic acid; sodium
IUPAC Name: 4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid; sodium
SYSTEMATIC NAME: 4-[2-[4,6-bis(oxidanylidene)-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid; sodium
MOLECULAR FORMULA: C26H18N4NaO8S2
MOLECULAR WEIGHT: 601.56289
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NN=C3C=CC(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)O)C3=O.[Na]
Structure:

CAS RN: 5873-17-6
CAS Name: 7-acetamido-4-oxo-3-[(4-phenyldiazenylphenyl)hydrazinylidene]-2-naphthalenesulfonic acid; sodium
OPENEYE Name: 7-acetamido-4-oxo-3-[(4-phenylazophenyl)hydrazono]naphthalene-2-sulfonic acid; sodium
IUPAC Name: 7-acetamido-4-oxo-3-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2-sulfonic acid; sodium
SYSTEMATIC NAME: 7-acetamido-4-oxidanylidene-3-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2-sulfonic acid; sodium
MOLECULAR FORMULA: C24H19N5NaO5S
MOLECULAR WEIGHT: 512.49293
SMILES: CC(=O)NC1=CC2=C(C=C1)C(=O)C(=NNC3=CC=C(C=C3)N=NC4=CC=CC=C4)C(=C2)S(=O)(=O)O.[Na]
Structure:

CAS RN: 6222-63-5
CAS Name: 7-acetamido-3-[(4-acetamidophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid; sodium
OPENEYE Name: 7-acetamido-3-[(4-acetamidophenyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid; sodium
IUPAC Name: 7-acetamido-3-[(4-acetamidophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid; sodium
SYSTEMATIC NAME: 7-acetamido-3-[(4-acetamidophenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid; sodium
MOLECULAR FORMULA: C20H18N4NaO6S
MOLECULAR WEIGHT: 465.43489
SMILES: CC(=O)NC1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C)S(=O)(=O)O.[Na]
Structure:

CAS RN: 6409-09-2
CAS Name: 3-chloro-4-methyl-5-[2-(4-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonic acid; sodium
OPENEYE Name: 3-chloro-4-methyl-5-[2-(4-oxo-1-naphthylidene)hydrazino]benzenesulfonic acid; sodium
IUPAC Name: 3-chloro-4-methyl-5-[2-(4-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonic acid; sodium
SYSTEMATIC NAME: 3-chloranyl-4-methyl-5-[2-(4-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonic acid; sodium
MOLECULAR FORMULA: C17H13ClN2NaO4S
MOLECULAR WEIGHT: 399.80389
SMILES: CC1=C(C=C(C=C1NN=C2C=CC(=O)C3=CC=CC=C23)S(=O)(=O)O)Cl.[Na]
Structure:

CAS RN: 16049-17-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H40N4O5Zn-4
MOLECULAR WEIGHT: 674.1356
SMILES: CCC1=C(C2/C=C\3/C(=C(/C(=C/C4C(C(C([N-]4)C5=C6C(=C(/C(=C/C1[N-]2)/[N-]6)C)C(=O)C5C(=O)OC)CCC(=O)OC)C)/[N-]3)C)C=C)C.[Zn]
Structure:

CAS RN: 6420-13-9
CAS Name: 7-[[4-[4-[2-(8-amino-1-oxo-5-sulfo-2-naphthalenylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-8-oxonaphthalene-1,6-disulfonic acid; sodium
OPENEYE Name: 7-[[4-[4-[2-(8-amino-1-oxo-5-sulfo-2-naphthylidene)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-8-oxo-naphthalene-1,6-disulfonic acid; sodium
IUPAC Name: 7-[[4-[4-[2-(8-amino-1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-8-oxonaphthalene-1,6-disulfonic acid; sodium
SYSTEMATIC NAME: 7-[[4-[4-[2-(8-azanyl-1-oxidanylidene-5-sulfo-naphthalen-2-ylidene)hydrazinyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-8-oxidanylidene-naphthalene-1,6-disulfonic acid; sodium
MOLECULAR FORMULA: C34H27N5NaO11S3
MOLECULAR WEIGHT: 800.78985
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)C)NN=C5C=CC6=C(C=CC(=C6C5=O)N)S(=O)(=O)O.[Na]
Structure:

CAS RN: 2429-73-4
CAS Name: 5-amino-3-[[4-[4-[2-(7-amino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid; sodium
OPENEYE Name: 5-amino-3-[[4-[4-[2-(7-amino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]phenyl]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid; sodium
IUPAC Name: 5-amino-3-[[4-[4-[2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid; sodium
SYSTEMATIC NAME: 5-azanyl-3-[[4-[4-[2-(7-azanyl-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid; sodium
MOLECULAR FORMULA: C32H24N6NaO11S3
MOLECULAR WEIGHT: 787.75133
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O)NN=C5C(=CC6=C(C5=O)C=C(C=C6)N)S(=O)(=O)O.[Na]
Structure:

CAS RN: 2893-80-3
CAS Name: 3-[[4-[4-[2-[4,6-dioxo-5-[(4-sulfophenyl)hydrazinylidene]-1-cyclohex-2-enylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid; sodium
OPENEYE Name: 3-[[4-[4-[2-[4,6-dioxo-5-[(4-sulfophenyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]phenyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid; sodium
IUPAC Name: 3-[[4-[4-[2-[4,6-dioxo-5-[(4-sulfophenyl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid; sodium
SYSTEMATIC NAME: 3-[[4-[4-[2-[4,6-bis(oxidanylidene)-5-[(4-sulfophenyl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid; sodium
MOLECULAR FORMULA: C31H22N6NaO8S
MOLECULAR WEIGHT: 661.59655
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C=CC(=O)C(=NNC4=CC=C(C=C4)S(=O)(=O)O)C3=O)NN=C5C=CC(=O)C(=C5)C(=O)O.[Na]
Structure:

CAS RN: 2829-42-7
CAS Name: 3-[[4-[[[4-[2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]-oxomethyl]amino]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid; sodium
OPENEYE Name: 3-[[4-[[4-[2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid; sodium
IUPAC Name: 3-[[4-[[4-[2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid; sodium
SYSTEMATIC NAME: 3-[[4-[[4-[2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid; sodium
MOLECULAR FORMULA: C27H20N6NaO7
MOLECULAR WEIGHT: 563.47347
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O)NN=C4C=CC(=O)C(=C4)C(=O)O.[Na]
Structure:

CAS RN: 2289-50-1
CAS Name: 3,3-dimethyl-7-oxo-6-[[oxo-(2-phenylphenyl)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
OPENEYE Name: 3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
IUPAC Name: 3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
SYSTEMATIC NAME: 3,3-dimethyl-7-oxidanylidene-6-[(2-phenylphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
MOLECULAR FORMULA: C21H20N2NaO4S
MOLECULAR WEIGHT: 419.44927
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=O)O)C.[Na]
Structure:

CAS RN: 38539-87-6
CAS Name: benzamidocarbamodithioic acid; potassium
OPENEYE Name: benzamidocarbamodithioic acid; potassium
IUPAC Name: benzamidocarbamodithioic acid; potassium
SYSTEMATIC NAME: benzamidocarbamodithioic acid; potassium
MOLECULAR FORMULA: C8H8KN2OS2
MOLECULAR WEIGHT: 251.39022
SMILES: C1=CC=C(C=C1)C(=O)NNC(=S)S.[K]
Structure:

CAS RN: 4751-77-3
CAS Name: 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine chloride
OPENEYE Name: 1-(diaminomethylene)-2-(1-phenylethyl)guanidine chloride
IUPAC Name: 1-(diaminomethylidene)-2-(1-phenylethyl)guanidine chloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(1-phenylethyl)guanidine chloride
MOLECULAR FORMULA: C10H15ClN5-
MOLECULAR WEIGHT: 240.7126
SMILES: CC(C1=CC=CC=C1)N=C(N)N=C(N)N.[Cl-]
Structure:

CAS RN: 823-85-8
CAS Name: (4-fluorophenyl)hydrazine chloride
OPENEYE Name: (4-fluorophenyl)hydrazine chloride
IUPAC Name: (4-fluorophenyl)hydrazine chloride
SYSTEMATIC NAME: (4-fluorophenyl)diazane chloride
MOLECULAR FORMULA: C6H7ClFN2-
MOLECULAR WEIGHT: 161.584583
SMILES: C1=CC(=CC=C1NN)F.[Cl-]
Structure:

http://ChemLookup.com Compounds




CAS RN: 1586-19-2
CAS Name: 8,9-dichlorobenzo[b]quinolizin-5-ium bromide
OPENEYE Name: 8,9-dichlorobenzo[b]quinolizin-5-ium bromide
IUPAC Name: 8,9-dichlorobenzo[b]quinolizin-5-ium bromide
SYSTEMATIC NAME: 8,9-bis(chloranyl)benzo[b]quinolizin-5-ium bromide
MOLECULAR FORMULA: C13H8BrCl2N
MOLECULAR WEIGHT: 329.01932
SMILES: C1=CC=[N+]2C=C3C=C(C(=CC3=CC2=C1)Cl)Cl.[Br-]
Structure:

CAS RN: 1695-41-6
CAS Name: 9-iodobenzo[b]quinolizin-5-ium bromide
OPENEYE Name: 9-iodobenzo[b]quinolizin-5-ium bromide
IUPAC Name: 9-iodobenzo[b]quinolizin-5-ium bromide
SYSTEMATIC NAME: 9-iodanylbenzo[b]quinolizin-5-ium bromide
MOLECULAR FORMULA: C13H9BrIN
MOLECULAR WEIGHT: 386.02573
SMILES: C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)I.[Br-]
Structure:

CAS RN: 1833-07-4
CAS Name: 7-iodobenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 7-iodobenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 7-iodobenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 7-iodanylbenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H9ClINO4
MOLECULAR WEIGHT: 405.57233
SMILES: C1=CC=[N+]2C=C3C(=CC2=C1)C=CC=C3I.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 1695-32-5
CAS Name: 7-chlorobenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 7-chlorobenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 7-chlorobenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 7-chloranylbenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H9Cl2NO4
MOLECULAR WEIGHT: 314.12086
SMILES: C1=CC=[N+]2C=C3C(=CC2=C1)C=CC=C3Cl.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 1833-06-3
CAS Name: 7-fluorobenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 7-fluorobenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 7-fluorobenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 7-fluoranylbenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H9ClFNO4
MOLECULAR WEIGHT: 297.666263
SMILES: C1=CC=[N+]2C=C3C(=CC2=C1)C=CC=C3F.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 20613-13-2
CAS Name: 2-(1-phenylpropan-2-ylamino)ethanethiol chloride
OPENEYE Name: 2-[(1-methyl-2-phenyl-ethyl)amino]ethanethiol chloride
IUPAC Name: 2-(1-phenylpropan-2-ylamino)ethanethiol chloride
SYSTEMATIC NAME: 2-(1-phenylpropan-2-ylamino)ethanethiol chloride
MOLECULAR FORMULA: C11H17ClNS-
MOLECULAR WEIGHT: 230.77738
SMILES: CC(CC1=CC=CC=C1)NCCS.[Cl-]
Structure:

CAS RN: 92298-69-6
CAS Name: 2-bromo-N-(2-bromoethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine hydrobromide
OPENEYE Name: 2-bromo-N-(2-bromoethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine hydrobromide
IUPAC Name: 2-bromo-N-(2-bromoethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine hydrobromide
SYSTEMATIC NAME: 2-bromanyl-N-(2-bromoethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine hydrobromide
MOLECULAR FORMULA: C14H22Br3NO3
MOLECULAR WEIGHT: 492.04138
SMILES: COC1=CC(=CC(=C1OC)OC)CN(CCBr)CCBr.Br
Structure:

CAS RN: 4685-21-6
CAS Name: 2-bromo-N-(2-bromoethyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
OPENEYE Name: 2-bromo-N-(2-bromoethyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
IUPAC Name: 2-bromo-N-(2-bromoethyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
SYSTEMATIC NAME: 2-bromanyl-N-(2-bromoethyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
MOLECULAR FORMULA: C13H20Br3NO2
MOLECULAR WEIGHT: 462.0154
SMILES: COC1=CC(=CC(=C1)CN(CCBr)CCBr)OC.Br
Structure:

CAS RN: 4988-66-3
CAS Name: N-(2-bromoethyl)-2-chloro-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
OPENEYE Name: N-(2-bromoethyl)-2-chloro-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
IUPAC Name: N-(2-bromoethyl)-2-chloro-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-chloranyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine hydrobromide
MOLECULAR FORMULA: C13H20Br2ClNO2
MOLECULAR WEIGHT: 417.5644
SMILES: COC1=CC(=CC(=C1)CN(CCCl)CCBr)OC.Br
Structure:

CAS RN: 28507-28-0
CAS Name: 2-bromo-N-(2-bromoethyl)-N-(phenylmethyl)ethanamine hydrobromide
OPENEYE Name: N-benzyl-2-bromo-N-(2-bromoethyl)ethanamine hydrobromide
IUPAC Name: N-benzyl-2-bromo-N-(2-bromoethyl)ethanamine hydrobromide
SYSTEMATIC NAME: 2-bromanyl-N-(2-bromoethyl)-N-(phenylmethyl)ethanamine hydrobromide
MOLECULAR FORMULA: C11H16Br3N
MOLECULAR WEIGHT: 401.96344
SMILES: C1=CC=C(C=C1)CN(CCBr)CCBr.Br
Structure:

CAS RN: 6089-25-4
CAS Name: N-(2-bromoethyl)-2-chloro-N-(phenylmethyl)ethanamine hydrobromide
OPENEYE Name: N-benzyl-N-(2-bromoethyl)-2-chloro-ethanamine hydrobromide
IUPAC Name: N-benzyl-N-(2-bromoethyl)-2-chloroethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-chloranyl-N-(phenylmethyl)ethanamine hydrobromide
MOLECULAR FORMULA: C11H16Br2ClN
MOLECULAR WEIGHT: 357.51244
SMILES: C1=CC=C(C=C1)CN(CCCl)CCBr.Br
Structure:

CAS RN: 1598-80-7
CAS Name: 2-fluoro-N-(2-fluoroethyl)-N-methylethanamine hydrochloride
OPENEYE Name: 2-fluoro-N-(2-fluoroethyl)-N-methyl-ethanamine hydrochloride
IUPAC Name: 2-fluoro-N-(2-fluoroethyl)-N-methylethanamine hydrochloride
SYSTEMATIC NAME: 2-fluoranyl-N-(2-fluoranylethyl)-N-methyl-ethanamine hydrochloride
MOLECULAR FORMULA: C5H12ClF2N
MOLECULAR WEIGHT: 159.605286
SMILES: CN(CCF)CCF.Cl
Structure:

CAS RN: 2003-38-5
CAS Name: 2-bromo-N-(2-bromoethyl)-N-methylethanamine hydrochloride
OPENEYE Name: 2-bromo-N-(2-bromoethyl)-N-methyl-ethanamine hydrochloride
IUPAC Name: 2-bromo-N-(2-bromoethyl)-N-methylethanamine hydrochloride
SYSTEMATIC NAME: 2-bromanyl-N-(2-bromoethyl)-N-methyl-ethanamine hydrochloride
MOLECULAR FORMULA: C5H12Br2ClN
MOLECULAR WEIGHT: 281.41648
SMILES: CN(CCBr)CCBr.Cl
Structure:

CAS RN: 2003-39-6
CAS Name: N-(2-bromoethyl)-2-chloro-N-methylethanamine hydrobromide
OPENEYE Name: N-(2-bromoethyl)-2-chloro-N-methyl-ethanamine hydrobromide
IUPAC Name: N-(2-bromoethyl)-2-chloro-N-methylethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-chloranyl-N-methyl-ethanamine hydrobromide
MOLECULAR FORMULA: C5H12Br2ClN
MOLECULAR WEIGHT: 281.41648
SMILES: CN(CCCl)CCBr.Br
Structure:

CAS RN: 89170-21-8
CAS Name: 2-amino-3-aminooxypropanoic acid hydrochloride
OPENEYE Name: 2-amino-3-aminooxy-propanoic acid hydrochloride
IUPAC Name: 2-amino-3-aminooxypropanoic acid hydrochloride
SYSTEMATIC NAME: 2-azanyl-3-azanyloxy-propanoic acid hydrochloride
MOLECULAR FORMULA: C3H9ClN2O3
MOLECULAR WEIGHT: 156.56816
SMILES: C(C(C(=O)O)N)ON.Cl
Structure:

CAS RN: 13062-77-6
CAS Name: 4-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzene-1,2-diol chloride
OPENEYE Name: 4-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzene-1,2-diol chloride
IUPAC Name: 4-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzene-1,2-diol chloride
SYSTEMATIC NAME: 4-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzene-1,2-diol chloride
MOLECULAR FORMULA: C15H17ClNO3-
MOLECULAR WEIGHT: 294.75338
SMILES: C1=CC(=CC=C1CCNCC2=CC(=C(C=C2)O)O)O.[Cl-]
Structure:

CAS RN: 871-74-9
CAS Name: N-(2-chloroethyl)-2-fluoroethanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-2-fluoro-ethanamine hydrochloride
IUPAC Name: N-(2-chloroethyl)-2-fluoroethanamine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-2-fluoranyl-ethanamine hydrochloride
MOLECULAR FORMULA: C4H10Cl2FN
MOLECULAR WEIGHT: 162.033303
SMILES: C(CF)NCCCl.Cl
Structure:

CAS RN: 28751-45-3
CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid; potassium
OPENEYE Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; potassium
IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; potassium
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid; potassium
MOLECULAR FORMULA: C19H16ClKNO4
MOLECULAR WEIGHT: 396.88594
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.[K]
Structure:

CAS RN: 92142-10-4
CAS Name: 4-amino-2-(hydroxymethyl)-5-mercapto-6-methoxy-3-oxanol chloride
OPENEYE Name: 4-amino-2-(hydroxymethyl)-6-methoxy-5-sulfanyl-tetrahydropyran-3-ol chloride
IUPAC Name: 4-amino-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxan-3-ol chloride
SYSTEMATIC NAME: 4-azanyl-2-(hydroxymethyl)-6-methoxy-5-sulfanyl-oxan-3-ol chloride
MOLECULAR FORMULA: C7H15ClNO4S-
MOLECULAR WEIGHT: 244.7163
SMILES: COC1C(C(C(C(O1)CO)O)N)S.[Cl-]
Structure:

CAS RN: 62-76-0
CAS Name: oxalic acid; sodium
OPENEYE Name: oxalic acid; sodium
IUPAC Name: oxalic acid; sodium
SYSTEMATIC NAME: ethanedioic acid; sodium
MOLECULAR FORMULA: C2H2NaO4
MOLECULAR WEIGHT: 113.02465
SMILES: C(=O)(C(=O)O)O.[Na]
Structure:

CAS RN: 940-63-6
CAS Name: carbamimidothioic acid (4-methylphenyl)methyl ester chloride
OPENEYE Name: 2-(p-tolylmethyl)isothiourea chloride
IUPAC Name: (4-methylphenyl)methyl carbamimidothioate chloride
SYSTEMATIC NAME: (4-methylphenyl)methyl carbamimidothioate chloride
MOLECULAR FORMULA: C9H12ClN2S-
MOLECULAR WEIGHT: 215.72298
SMILES: CC1=CC=C(C=C1)CSC(=N)N.[Cl-]
Structure:

CAS RN: 71015-37-7
CAS Name: 2-[2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide
OPENEYE Name: 2-[2-(2,5-dimethoxyphenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium iodide
IUPAC Name: 2-[2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide
SYSTEMATIC NAME: 2-[2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium iodide
MOLECULAR FORMULA: C18H18INO2S
MOLECULAR WEIGHT: 439.31049
SMILES: C[N+]1=C(SC2=CC=CC=C21)C=CC3=C(C=CC(=C3)OC)OC.[I-]
Structure:

CAS RN: 39053-76-4
CAS Name: O-(2-chloroethyl)hydroxylamine hydrochloride
OPENEYE Name: O-(2-chloroethyl)hydroxylamine hydrochloride
IUPAC Name: O-(2-chloroethyl)hydroxylamine hydrochloride
SYSTEMATIC NAME: O-(2-chloroethyl)hydroxylamine hydrochloride
MOLECULAR FORMULA: C2H7Cl2NO
MOLECULAR WEIGHT: 131.98908
SMILES: C(CCl)ON.Cl
Structure:

CAS RN: 23330-24-7
CAS Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-diazonioethenolate
OPENEYE Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-diazonio-ethenolate
IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-diazonioethenolate
SYSTEMATIC NAME: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-diazonio-ethenolate
MOLECULAR FORMULA: C23H34N2O3
MOLECULAR WEIGHT: 386.52766
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=C[N+]#N)[O-])C)C
Structure:

CAS RN: 14415-42-0
CAS Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenyl-1-benzopyran-2-one hydrochloride
OPENEYE Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenyl-chromen-2-one hydrochloride
IUPAC Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenylchromen-2-one hydrochloride
SYSTEMATIC NAME: 8-[bis(2-chloroethyl)aminomethyl]-7-oxidanyl-4-phenyl-chromen-2-one hydrochloride
MOLECULAR FORMULA: C20H20Cl3NO3
MOLECULAR WEIGHT: 428.7367
SMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CN(CCCl)CCCl)O.Cl
Structure:

CAS RN: 15991-08-9
CAS Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-1-benzopyran-2-one hydrochloride
OPENEYE Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-chromen-2-one hydrochloride
IUPAC Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxychromen-2-one hydrochloride
SYSTEMATIC NAME: 8-[bis(2-chloroethyl)aminomethyl]-7-oxidanyl-chromen-2-one hydrochloride
MOLECULAR FORMULA: C14H16Cl3NO3
MOLECULAR WEIGHT: 352.64074
SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)CN(CCCl)CCCl)O.Cl
Structure:

CAS RN: 14522-19-1
CAS Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one hydrochloride
OPENEYE Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methyl-chromen-2-one hydrochloride
IUPAC Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one hydrochloride
SYSTEMATIC NAME: 8-[bis(2-chloroethyl)aminomethyl]-4-methyl-7-oxidanyl-chromen-2-one hydrochloride
MOLECULAR FORMULA: C15H18Cl3NO3
MOLECULAR WEIGHT: 366.66732
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(CCCl)CCCl)O.Cl
Structure:

CAS RN: 52191-30-7
CAS Name: 2-[2-(1H-indol-3-yl)ethylamino]ethanethiol chloride
OPENEYE Name: 2-[2-(1H-indol-3-yl)ethylamino]ethanethiol chloride
IUPAC Name: 2-[2-(1H-indol-3-yl)ethylamino]ethanethiol chloride
SYSTEMATIC NAME: 2-[2-(1H-indol-3-yl)ethylamino]ethanethiol chloride
MOLECULAR FORMULA: C12H16ClN2S-
MOLECULAR WEIGHT: 255.78684
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNCCS.[Cl-]
Structure:

CAS RN: 4476-04-4
CAS Name: cadmium; decanedioic acid
OPENEYE Name: cadmium; decanedioic acid
IUPAC Name: cadmium; decanedioic acid
SYSTEMATIC NAME: cadmium; decanedioic acid
MOLECULAR FORMULA: C10H18CdO4
MOLECULAR WEIGHT: 314.65852
SMILES: C(CCCCC(=O)O)CCCC(=O)O.[Cd]
Structure:

CAS RN: 18237-15-5
CAS Name: 3-(1H-indol-3-yl)-1-propanamine chloride
OPENEYE Name: 3-(1H-indol-3-yl)propan-1-amine chloride
IUPAC Name: 3-(1H-indol-3-yl)propan-1-amine chloride
SYSTEMATIC NAME: 3-(1H-indol-3-yl)propan-1-amine chloride
MOLECULAR FORMULA: C11H14ClN2-
MOLECULAR WEIGHT: 209.69526
SMILES: C1=CC=C2C(=C1)C(=CN2)CCCN.[Cl-]
Structure:

CAS RN: 997-17-1
CAS Name: 2-hydroxy-4,4-dinitrobutanoic acid methyl ester; potassium
OPENEYE Name: methyl 2-hydroxy-4,4-dinitro-butanoate; potassium
IUPAC Name: methyl 2-hydroxy-4,4-dinitrobutanoate; potassium
SYSTEMATIC NAME: methyl 4,4-dinitro-2-oxidanyl-butanoate; potassium
MOLECULAR FORMULA: C5H8KN2O7
MOLECULAR WEIGHT: 247.22452
SMILES: COC(=O)C(CC([N+](=O)[O-])[N+](=O)[O-])O.[K]
Structure:

CAS RN: 24827-81-4
CAS Name: 4,4-dinitrobutanoic acid methyl ester; potassium
OPENEYE Name: methyl 4,4-dinitrobutanoate; potassium
IUPAC Name: methyl 4,4-dinitrobutanoate; potassium
SYSTEMATIC NAME: methyl 4,4-dinitrobutanoate; potassium
MOLECULAR FORMULA: C5H8KN2O6
MOLECULAR WEIGHT: 231.22512
SMILES: COC(=O)CCC([N+](=O)[O-])[N+](=O)[O-].[K]
Structure:

CAS RN: 21161-03-5
CAS Name: 3-(1-quinolin-1-iumyl)propanamide chloride
OPENEYE Name: 3-quinolin-1-ium-1-ylpropanamide chloride
IUPAC Name: 3-quinolin-1-ium-1-ylpropanamide chloride
SYSTEMATIC NAME: 3-quinolin-1-ium-1-ylpropanamide chloride
MOLECULAR FORMULA: C12H13ClN2O
MOLECULAR WEIGHT: 236.69742
SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CCC(=O)N.[Cl-]
Structure:

CAS RN: 21161-01-3
CAS Name: 3-(1-pyridin-1-iumyl)propanamide chloride
OPENEYE Name: 3-pyridin-1-ium-1-ylpropanamide chloride
IUPAC Name: 3-pyridin-1-ium-1-ylpropanamide chloride
SYSTEMATIC NAME: 3-pyridin-1-ium-1-ylpropanamide chloride
MOLECULAR FORMULA: C8H11ClN2O
MOLECULAR WEIGHT: 186.63874
SMILES: C1=CC=[N+](C=C1)CCC(=O)N.[Cl-]
Structure:

CAS RN: 33601-78-4
CAS Name: 3-(4-methyl-1-pyridin-1-iumyl)propanamide chloride
OPENEYE Name: 3-(4-methylpyridin-1-ium-1-yl)propanamide chloride
IUPAC Name: 3-(4-methylpyridin-1-ium-1-yl)propanamide chloride
SYSTEMATIC NAME: 3-(4-methylpyridin-1-ium-1-yl)propanamide chloride
MOLECULAR FORMULA: C9H13ClN2O
MOLECULAR WEIGHT: 200.66532
SMILES: CC1=CC=[N+](C=C1)CCC(=O)N.[Cl-]
Structure:

CAS RN: 93336-22-2
CAS Name: 3-(2-methyl-1-pyridin-1-iumyl)propanamide chloride
OPENEYE Name: 3-(2-methylpyridin-1-ium-1-yl)propanamide chloride
IUPAC Name: 3-(2-methylpyridin-1-ium-1-yl)propanamide chloride
SYSTEMATIC NAME: 3-(2-methylpyridin-1-ium-1-yl)propanamide chloride
MOLECULAR FORMULA: C9H13ClN2O
MOLECULAR WEIGHT: 200.66532
SMILES: CC1=CC=CC=[N+]1CCC(=O)N.[Cl-]
Structure:

CAS RN: 83898-26-4
CAS Name: 4-(4-methylphenyl)-1-(phenylmethyl)-4-piperidinol chloride
OPENEYE Name: 1-benzyl-4-(p-tolyl)piperidin-4-ol chloride
IUPAC Name: 1-benzyl-4-(4-methylphenyl)piperidin-4-ol chloride
SYSTEMATIC NAME: 4-(4-methylphenyl)-1-(phenylmethyl)piperidin-4-ol chloride
MOLECULAR FORMULA: C19H23ClNO-
MOLECULAR WEIGHT: 316.84502
SMILES: CC1=CC=C(C=C1)C2(CCN(CC2)CC3=CC=CC=C3)O.[Cl-]
Structure:

CAS RN: 5726-64-7
CAS Name: 1-[10-[[oxo-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]methyl]amino]decyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[10-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]decyl]urea chloride
IUPAC Name: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[10-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]decyl]urea chloride
SYSTEMATIC NAME: 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[10-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]decyl]urea chloride
MOLECULAR FORMULA: C32H46ClN8O2-
MOLECULAR WEIGHT: 610.21304
SMILES: C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)NCCCCCCCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCCN4.[Cl-]
Structure:

CAS RN: 5737-48-4
CAS Name: 1-[10-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]decyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[10-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]decyl]urea chloride
IUPAC Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[10-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]decyl]urea chloride
SYSTEMATIC NAME: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[10-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]decyl]urea chloride
MOLECULAR FORMULA: C30H42ClN8O2-
MOLECULAR WEIGHT: 582.15988
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NCCCCCCCCCCNC(=O)NC3=CC=C(C=C3)C4=NCCN4.[Cl-]
Structure: