CAS RN: 5485-84-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H15IN2
MOLECULAR WEIGHT: 410.25097
SMILES: CC1=CC2=C(C=C1)N3C(=C[N+]4=C3C=CC5=CC=CC=C54)C=C2.[I-]
Structure:
CAS RN: 3245-17-8
CAS Name: N,N-diphenylcarbamic acid (1-methyl-3-piperidinyl) ester hydrochloride
OPENEYE Name: (1-methyl-3-piperidyl) N,N-diphenylcarbamate hydrochloride
IUPAC Name: (1-methylpiperidin-3-yl) N,N-diphenylcarbamate hydrochloride
SYSTEMATIC NAME: (1-methylpiperidin-3-yl) N,N-diphenylcarbamate hydrochloride
MOLECULAR FORMULA: C19H23ClN2O2
MOLECULAR WEIGHT: 346.85112
SMILES: CN1CCCC(C1)OC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 78551-49-2
CAS Name: 2-[(2-amino-1-oxopropyl)amino]acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-(2-aminopropanoylamino)acetate hydrochloride
IUPAC Name: methyl 2-(2-aminopropanoylamino)acetate hydrochloride
SYSTEMATIC NAME: methyl 2-(2-azanylpropanoylamino)ethanoate hydrochloride
MOLECULAR FORMULA: C6H13ClN2O3
MOLECULAR WEIGHT: 196.63202
SMILES: CC(C(=O)NCC(=O)OC)N.Cl
Structure:
CAS RN: 53213-86-8
CAS Name: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
OPENEYE Name: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
IUPAC Name: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
SYSTEMATIC NAME: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
MOLECULAR FORMULA: C27H33IN2S2
MOLECULAR WEIGHT: 576.59879
SMILES: CCCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCC.[I-]
Structure:
CAS RN: 89170-61-6
CAS Name: diethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium bromide
OPENEYE Name: benzyl-diethyl-(2-phenoxyethyl)ammonium bromide
IUPAC Name: benzyl-diethyl-(2-phenoxyethyl)azanium bromide
SYSTEMATIC NAME: diethyl-(2-phenoxyethyl)-(phenylmethyl)azanium bromide
MOLECULAR FORMULA: C19H26BrNO
MOLECULAR WEIGHT: 364.31984
SMILES: CC[N+](CC)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.[Br-]
Structure:
CAS RN: 17614-69-6
CAS Name: 4-isothiocyanatobenzenesulfonic acid; sodium
OPENEYE Name: 4-isothiocyanatobenzenesulfonic acid; sodium
IUPAC Name: 4-isothiocyanatobenzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-isothiocyanatobenzenesulfonic acid; sodium
MOLECULAR FORMULA: C7H5NNaO3S2
MOLECULAR WEIGHT: 238.23927
SMILES: C1=CC(=CC=C1N=C=S)S(=O)(=O)O.[Na]
Structure:
CAS RN: 91774-37-7
CAS Name: 2-(4,5-dihydro-1H-imidazol-2-ylthio)acetic acid ethyl ester chloride
OPENEYE Name: ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate chloride
IUPAC Name: ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate chloride
SYSTEMATIC NAME: ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoate chloride
MOLECULAR FORMULA: C7H12ClN2O2S-
MOLECULAR WEIGHT: 223.70038
SMILES: CCOC(=O)CSC1=NCCN1.[Cl-]
Structure:
CAS RN: 17563-63-2
CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]acetic acid hydrobromide
OPENEYE Name: 2-[(2-amino-4-methyl-pentanoyl)amino]acetic acid hydrobromide
IUPAC Name: 2-[(2-amino-4-methylpentanoyl)amino]acetic acid hydrobromide
SYSTEMATIC NAME: 2-[(2-azanyl-4-methyl-pentanoyl)amino]ethanoic acid hydrobromide
MOLECULAR FORMULA: C8H17BrN2O3
MOLECULAR WEIGHT: 269.13618
SMILES: CC(C)CC(C(=O)NCC(=O)O)N.Br
Structure:
CAS RN: 66088-51-5
CAS Name: 1-(diaminomethylidene)-2-(2-fluorophenyl)guanidine chloride
OPENEYE Name: 1-(diaminomethylene)-2-(2-fluorophenyl)guanidine chloride
IUPAC Name: 1-(diaminomethylidene)-2-(2-fluorophenyl)guanidine chloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(2-fluorophenyl)guanidine chloride
MOLECULAR FORMULA: C8H10ClFN5-
MOLECULAR WEIGHT: 230.649903
SMILES: C1=CC=C(C(=C1)N=C(N)N=C(N)N)F.[Cl-]
Structure:
CAS RN: 64039-38-9
CAS Name: carbamimidothioic acid phenacyl ester chloride
OPENEYE Name: 2-phenacylisothiourea chloride
IUPAC Name: phenacyl carbamimidothioate chloride
SYSTEMATIC NAME: phenacyl carbamimidothioate chloride
MOLECULAR FORMULA: C9H10ClN2OS-
MOLECULAR WEIGHT: 229.7065
SMILES: C1=CC=C(C=C1)C(=O)CSC(=N)N.[Cl-]
Structure:
CAS RN: 16111-09-4
CAS Name: carbamimidothioic acid 2-hydroxyethyl ester chloride
OPENEYE Name: 2-(2-hydroxyethyl)isothiourea chloride
IUPAC Name: 2-hydroxyethyl carbamimidothioate chloride
SYSTEMATIC NAME: 2-hydroxyethyl carbamimidothioate chloride
MOLECULAR FORMULA: C3H8ClN2OS-
MOLECULAR WEIGHT: 155.62642
SMILES: C(CSC(=N)N)O.[Cl-]
Structure:
CAS RN: 60491-30-7
CAS Name: 4-[ethyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]-1-butanol hydrochloride
OPENEYE Name: 4-[ethyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]butan-1-ol hydrochloride
IUPAC Name: 4-[ethyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]butan-1-ol hydrochloride
SYSTEMATIC NAME: 4-[ethyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]butan-1-ol hydrochloride
MOLECULAR FORMULA: C17H27ClN2O2
MOLECULAR WEIGHT: 326.86148
SMILES: CCN(CCCCO)CCC1=CNC2=C1C=C(C=C2)OC.Cl
Structure:
CAS RN: 88688-74-8
CAS Name: 3,4,5-triethoxybenzoic acid 4-[1-phenylpropan-2-yl(propyl)amino]butyl ester hydrochloride
OPENEYE Name: 4-[(1-methyl-2-phenyl-ethyl)-propyl-amino]butyl 3,4,5-triethoxybenzoate hydrochloride
IUPAC Name: 4-[1-phenylpropan-2-yl(propyl)amino]butyl 3,4,5-triethoxybenzoate hydrochloride
SYSTEMATIC NAME: 4-[1-phenylpropan-2-yl(propyl)amino]butyl 3,4,5-triethoxybenzoate hydrochloride
MOLECULAR FORMULA: C29H44ClNO5
MOLECULAR WEIGHT: 522.11636
SMILES: CCCN(CCCCOC(=O)C1=CC(=C(C(=C1)OCC)OCC)OCC)C(C)CC2=CC=CC=C2.Cl
Structure:
CAS RN: 60491-27-2
CAS Name: 3,4,5-trimethoxybenzoic acid 6-[ethyl(2-phenylethyl)amino]hexan-3-yl ester hydrochloride
OPENEYE Name: [1-ethyl-4-[ethyl(2-phenylethyl)amino]butyl] 3,4,5-trimethoxybenzoate hydrochloride
IUPAC Name: 6-[ethyl(2-phenylethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate hydrochloride
SYSTEMATIC NAME: 6-[ethyl(2-phenylethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate hydrochloride
MOLECULAR FORMULA: C26H38ClNO5
MOLECULAR WEIGHT: 480.03662
SMILES: CCC(CCCN(CC)CCC1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl
Structure:
CAS RN: 19423-47-3
CAS Name: 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxaldehyde; potassium
OPENEYE Name: 6-methyl-2,4-dioxo-1H-pyrimidine-5-carbaldehyde; potassium
IUPAC Name: 6-methyl-2,4-dioxo-1H-pyrimidine-5-carbaldehyde; potassium
SYSTEMATIC NAME: 6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carbaldehyde; potassium
MOLECULAR FORMULA: C6H6KN2O3
MOLECULAR WEIGHT: 193.22174
SMILES: CC1=C(C(=O)NC(=O)N1)C=O.[K]
Structure:
CAS RN: 89830-84-2
CAS Name: sodium; sulfuric acid (2,3,4,5-tetrahydroxy-6-oxohexyl) ester
OPENEYE Name: sodium; (2,3,4,5-tetrahydroxy-6-oxo-hexyl) hydrogen sulfate
IUPAC Name: sodium; (2,3,4,5-tetrahydroxy-6-oxohexyl) hydrogen sulfate
SYSTEMATIC NAME: sodium; [2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexyl] hydrogen sulfate
MOLECULAR FORMULA: C6H12NaO9S
MOLECULAR WEIGHT: 283.20885
SMILES: C(C(C(C(C(C=O)O)O)O)O)OS(=O)(=O)O.[Na]
Structure:
CAS RN: 82585-24-8
CAS Name: barium; 1,2,4-thiadiazolidine-3,5-dithione
OPENEYE Name: barium; 1,2,4-thiadiazolidine-3,5-dithione
IUPAC Name: barium; 1,2,4-thiadiazolidine-3,5-dithione
SYSTEMATIC NAME: barium; 1,2,4-thiadiazolidine-3,5-dithione
MOLECULAR FORMULA: C2H2BaN2S3
MOLECULAR WEIGHT: 287.57268
SMILES: C1(=S)NC(=S)SN1.[Ba]
Structure:
CAS RN: 7389-87-9
CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid methyl ester chloride
OPENEYE Name: methyl 2-amino-3-(1H-imidazol-5-yl)propanoate chloride
IUPAC Name: methyl 2-amino-3-(1H-imidazol-5-yl)propanoate chloride
SYSTEMATIC NAME: methyl 2-azanyl-3-(1H-imidazol-5-yl)propanoate chloride
MOLECULAR FORMULA: C7H11ClN3O2-
MOLECULAR WEIGHT: 204.63414
SMILES: COC(=O)C(CC1=CN=CN1)N.[Cl-]
Structure:
CAS RN: 1126-15-4
CAS Name: carbamimidothioic acid (1-oxido-2-pyridin-1-iumyl) ester bromide
OPENEYE Name: 2-(1-oxidopyridin-1-ium-2-yl)isothiourea bromide
IUPAC Name: (1-oxidopyridin-1-ium-2-yl) carbamimidothioate bromide
SYSTEMATIC NAME: (1-oxidanidylpyridin-1-ium-2-yl) carbamimidothioate bromide
MOLECULAR FORMULA: C6H7BrN3OS-
MOLECULAR WEIGHT: 249.10828
SMILES: C1=CC=[N+](C(=C1)SC(=N)N)[O-].[Br-]
Structure:
CAS RN: 13137-91-2
CAS Name: 4-[2-(2-ethylsulfonylethylthio)ethyl]morpholine hydrochloride
OPENEYE Name: 4-[2-(2-ethylsulfonylethylsulfanyl)ethyl]morpholine hydrochloride
IUPAC Name: 4-[2-(2-ethylsulfonylethylsulfanyl)ethyl]morpholine hydrochloride
SYSTEMATIC NAME: 4-[2-(2-ethylsulfonylethylsulfanyl)ethyl]morpholine hydrochloride
MOLECULAR FORMULA: C10H22ClNO3S2
MOLECULAR WEIGHT: 303.86958
SMILES: CCS(=O)(=O)CCSCCN1CCOCC1.Cl
Structure:
CAS RN: 2618-22-6
CAS Name: 2-[formyl(hydroxy)amino]acetic acid; sodium
OPENEYE Name: 2-[formyl(hydroxy)amino]acetic acid; sodium
IUPAC Name: 2-[formyl(hydroxy)amino]acetic acid; sodium
SYSTEMATIC NAME: 2-[methanoyl(oxidanyl)amino]ethanoic acid; sodium
MOLECULAR FORMULA: C3H5NNaO4
MOLECULAR WEIGHT: 142.06587
SMILES: C(C(=O)O)N(C=O)O.[Na]
Structure:
CAS RN: 76809-13-7
CAS Name: 2-amino-4-oxazolone chloride
OPENEYE Name: 2-aminooxazol-4-one chloride
IUPAC Name: 2-amino-1,3-oxazol-4-one chloride
SYSTEMATIC NAME: 2-azanyl-1,3-oxazol-4-one chloride
MOLECULAR FORMULA: C3H4ClN2O2-
MOLECULAR WEIGHT: 135.52906
SMILES: C1C(=O)N=C(O1)N.[Cl-]
Structure:
CAS RN: 60524-52-9
CAS Name: 5-amino-3-pyridinecarboxamide chloride
OPENEYE Name: 5-aminopyridine-3-carboxamide chloride
IUPAC Name: 5-aminopyridine-3-carboxamide chloride
SYSTEMATIC NAME: 5-azanylpyridine-3-carboxamide chloride
MOLECULAR FORMULA: C6H7ClN3O-
MOLECULAR WEIGHT: 172.59228
SMILES: C1=C(C=NC=C1N)C(=O)N.[Cl-]
Structure:
CAS RN: 16571-50-9
CAS Name: 3-(2-pyridin-4-ylethyl)-1H-indole hydrochloride
OPENEYE Name: 3-[2-(4-pyridyl)ethyl]-1H-indole hydrochloride
IUPAC Name: 3-(2-pyridin-4-ylethyl)-1H-indole hydrochloride
SYSTEMATIC NAME: 3-(2-pyridin-4-ylethyl)-1H-indole hydrochloride
MOLECULAR FORMULA: C15H15ClN2
MOLECULAR WEIGHT: 258.746
SMILES: C1=CC=C2C(=C1)C(=CN2)CCC3=CC=NC=C3.Cl
Structure:
CAS RN: 51388-18-2
CAS Name: 2-(4-butylphenyl)-1-(diaminomethylidene)guanidine hydrochloride
OPENEYE Name: 2-(4-butylphenyl)-1-(diaminomethylene)guanidine hydrochloride
IUPAC Name: 2-(4-butylphenyl)-1-(diaminomethylidene)guanidine hydrochloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(4-butylphenyl)guanidine hydrochloride
MOLECULAR FORMULA: C12H20ClN5
MOLECULAR WEIGHT: 269.7737
SMILES: CCCCC1=CC=C(C=C1)N=C(N)N=C(N)N.Cl
Structure:
CAS RN: 64048-50-6
CAS Name: carbamimidothioic acid 2-[[4-morpholinyl(oxo)methyl]amino]ethyl ester chloride
OPENEYE Name: N-(2-carbamimidoylsulfanylethyl)morpholine-4-carboxamide chloride
IUPAC Name: 2-(morpholine-4-carbonylamino)ethyl carbamimidothioate chloride
SYSTEMATIC NAME: 2-(morpholin-4-ylcarbonylamino)ethyl carbamimidothioate chloride
MOLECULAR FORMULA: C8H16ClN4O2S-
MOLECULAR WEIGHT: 267.75624
SMILES: C1COCCN1C(=O)NCCSC(=N)N.[Cl-]
Structure:
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