CAS RN: 6576-51-8
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-formamido-1-methyl-2-pyrrolecarboxamide chloride
OPENEYE Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide chloride
IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide chloride
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide chloride
MOLECULAR FORMULA: C22H27ClN9O4-
MOLECULAR WEIGHT: 516.96068
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O.[Cl-]
Structure:
CAS RN: 50308-91-3
CAS Name: 4-[(1-ethyl-6-nitro-4-quinolin-1-iumyl)amino]-N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]benzamide bromide
OPENEYE Name: 4-[(1-ethyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide
IUPAC Name: 4-[(1-ethyl-6-nitroquinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide
SYSTEMATIC NAME: 4-[(1-ethyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide
MOLECULAR FORMULA: C31H30BrN6O3+
MOLECULAR WEIGHT: 614.5123
SMILES: CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)CC)[N+](=O)[O-].[Br-]
Structure:
CAS RN: 38966-31-3
CAS Name: (6Z)-6-[[2-(1-aziridinyl)ethylamino]methylidene]-1-cyclohexa-2,4-dienone; nickel
OPENEYE Name: (6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylene]cyclohexa-2,4-dien-1-one; nickel
IUPAC Name: (6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel
SYSTEMATIC NAME: (6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel
MOLECULAR FORMULA: C22H28N4NiO2
MOLECULAR WEIGHT: 439.17672
SMILES: C1N(C1)CCN/C=C/2\C(=O)C=CC=C2.C1N(C1)CCN/C=C/2\C(=O)C=CC=C2.[Ni]
Structure:
CAS RN: 17054-20-5
CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride
OPENEYE Name: 7-benzyloxy-1-[(3-bromo-4-methoxy-phenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline chloride
IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride
SYSTEMATIC NAME: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride
MOLECULAR FORMULA: C25H24BrClNO3-
MOLECULAR WEIGHT: 501.81996
SMILES: COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)Br.[Cl-]
Structure:
CAS RN: 17138-37-3
CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride
OPENEYE Name: 7-benzyloxy-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline chloride
IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride
SYSTEMATIC NAME: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride
MOLECULAR FORMULA: C26H26BrClNO4-
MOLECULAR WEIGHT: 531.84594
SMILES: COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OCC4=CC=CC=C4.[Cl-]
Structure:
CAS RN: 42390-73-8
CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide
OPENEYE Name: 7-benzyloxy-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide
SYSTEMATIC NAME: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide
MOLECULAR FORMULA: C27H29BrINO4
MOLECULAR WEIGHT: 638.33193
SMILES: C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)CC4=CC(=C(C=C4Br)OC)OC.[I-]
Structure:
CAS RN: 39494-19-4
CAS Name: 2-hydroxybenzaldehyde; palladium(2+)
OPENEYE Name: 2-hydroxybenzaldehyde; palladium(2+)
IUPAC Name: 2-hydroxybenzaldehyde; palladium(2+)
SYSTEMATIC NAME: 2-oxidanylbenzaldehyde; palladium(2+)
MOLECULAR FORMULA: C14H12O4Pd+2
MOLECULAR WEIGHT: 350.66268
SMILES: C1=CC=C(C(=C1)C=O)O.C1=CC=C(C(=C1)C=O)O.[Pd+2]
Structure:
CAS RN: 29050-67-7
CAS Name: 2,9-dihydro-1,10-phenanthroline-1,10-diide; mercury; dithiocyanate
OPENEYE Name: 2,9-dihydro-1,10-phenanthroline-1,10-diide; mercury; dithiocyanate
IUPAC Name: 2,9-dihydro-1,10-phenanthroline-1,10-diide; mercury; dithiocyanate
SYSTEMATIC NAME: 2,9-dihydro-1,10-phenanthroline-1,10-diide; mercury; dithiocyanate
MOLECULAR FORMULA: C14H10HgN4S2-4
MOLECULAR WEIGHT: 498.976
SMILES: C1C=CC2=C([N-]1)C3=C(C=CC[N-]3)C=C2.C(#N)[S-].C(#N)[S-].[Hg]
Structure:
CAS RN: 38052-95-8
CAS Name: 3-[(2-amino-6-phenanthridinyl)amino]-1-propanol chloride
OPENEYE Name: 3-[(2-aminophenanthridin-6-yl)amino]propan-1-ol chloride
IUPAC Name: 3-[(2-aminophenanthridin-6-yl)amino]propan-1-ol chloride
SYSTEMATIC NAME: 3-[(2-azanylphenanthridin-6-yl)amino]propan-1-ol chloride
MOLECULAR FORMULA: C16H17ClN3O-
MOLECULAR WEIGHT: 302.77868
SMILES: C1=CC=C2C(=C1)C3=C(C=CC(=C3)N)N=C2NCCCO.[Cl-]
Structure:
CAS RN: 50496-30-5
CAS Name: 2-methyl-1-(4-phenylphenyl)-3-(1-piperidinyl)-1-propanone chloride
OPENEYE Name: 2-methyl-1-(4-phenylphenyl)-3-(1-piperidyl)propan-1-one chloride
IUPAC Name: 2-methyl-1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one chloride
SYSTEMATIC NAME: 2-methyl-1-(4-phenylphenyl)-3-piperidin-1-yl-propan-1-one chloride
MOLECULAR FORMULA: C21H25ClNO-
MOLECULAR WEIGHT: 342.8823
SMILES: CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 41520-23-4
CAS Name: 1-(1,3-dichloropropan-2-yl)piperidine hydrochloride
OPENEYE Name: 1-[2-chloro-1-(chloromethyl)ethyl]piperidine hydrochloride
IUPAC Name: 1-(1,3-dichloropropan-2-yl)piperidine hydrochloride
SYSTEMATIC NAME: 1-[1,3-bis(chloranyl)propan-2-yl]piperidine hydrochloride
MOLECULAR FORMULA: C8H16Cl3N
MOLECULAR WEIGHT: 232.57834
SMILES: C1CCN(CC1)C(CCl)CCl.Cl
Structure:
CAS RN: 50786-86-2
CAS Name: 1-(2,3-dichloropropyl)piperidine hydrochloride
OPENEYE Name: 1-(2,3-dichloropropyl)piperidine hydrochloride
IUPAC Name: 1-(2,3-dichloropropyl)piperidine hydrochloride
SYSTEMATIC NAME: 1-[2,3-bis(chloranyl)propyl]piperidine hydrochloride
MOLECULAR FORMULA: C8H16Cl3N
MOLECULAR WEIGHT: 232.57834
SMILES: C1CCN(CC1)CC(CCl)Cl.Cl
Structure:
CAS RN: 13492-21-2
CAS Name: 3-(1-azepanyl)-1-(3-nitrophenyl)-1-propanone chloride
OPENEYE Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one chloride
IUPAC Name: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one chloride
SYSTEMATIC NAME: 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one chloride
MOLECULAR FORMULA: C15H20ClN2O3-
MOLECULAR WEIGHT: 311.7839
SMILES: C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 6746-80-1
CAS Name: carbamimidothioic acid [4-[(carbamimidoylthio)methyl]-2,5-dimethylphenyl]methyl ester chloride
OPENEYE Name: 2-[[4-(carbamimidoylsulfanylmethyl)-2,5-dimethyl-phenyl]methyl]isothiourea chloride
IUPAC Name: [4-(carbamimidoylsulfanylmethyl)-2,5-dimethylphenyl]methyl carbamimidothioate chloride
SYSTEMATIC NAME: [4-(carbamimidoylsulfanylmethyl)-2,5-dimethyl-phenyl]methyl carbamimidothioate chloride
MOLECULAR FORMULA: C12H18ClN4S2-
MOLECULAR WEIGHT: 317.88112
SMILES: CC1=CC(=C(C=C1CSC(=N)N)C)CSC(=N)N.[Cl-]
Structure:
CAS RN: 70519-72-1
CAS Name: 2-[(1,1-dioxo-3-thiolanyl)amino]ethanol chloride
OPENEYE Name: 2-[(1,1-dioxothiolan-3-yl)amino]ethanol chloride
IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)amino]ethanol chloride
SYSTEMATIC NAME: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]ethanol chloride
MOLECULAR FORMULA: C6H13ClNO3S-
MOLECULAR WEIGHT: 214.69032
SMILES: C1CS(=O)(=O)CC1NCCO.[Cl-]
Structure:
CAS RN: 55428-90-5
CAS Name: 2-(5-amino-3-pyrimido[5,4-e][1,2,4]triazinyl)-2,2-diazidoacetic acid ethyl ester
OPENEYE Name: ethyl 2-(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)-2,2-diazido-acetate
IUPAC Name: ethyl 2-(5-aminopyrimido[5,4-e][1,2,4]triazin-3-yl)-2,2-diazidoacetate
SYSTEMATIC NAME: ethyl 2-(5-azanylpyrimido[5,4-e][1,2,4]triazin-3-yl)-2,2-diazido-ethanoate
MOLECULAR FORMULA: C9H8N12O2
MOLECULAR WEIGHT: 316.23902
SMILES: CCOC(=O)C(C1=NC2=C(N=CN=C2N)N=N1)(N=[N+]=[N-])N=[N+]=[N-]
Structure:
CAS RN: 28120-02-7
CAS Name: 1-[1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumyl]ethanone bromide
OPENEYE Name: 1-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl]ethanone bromide
IUPAC Name: 1-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl]ethanone bromide
SYSTEMATIC NAME: 1-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl]ethanone bromide
MOLECULAR FORMULA: C14H13BrN2O3
MOLECULAR WEIGHT: 337.16862
SMILES: CC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-]
Structure:
CAS RN: 30788-30-8
CAS Name: trimethyl-[2-(methylamino)cyclohexyl]ammonium iodide
OPENEYE Name: trimethyl-[2-(methylamino)cyclohexyl]ammonium iodide
IUPAC Name: trimethyl-[2-(methylamino)cyclohexyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[2-(methylamino)cyclohexyl]azanium iodide
MOLECULAR FORMULA: C10H23IN2
MOLECULAR WEIGHT: 298.20749
SMILES: CNC1CCCCC1[N+](C)(C)C.[I-]
Structure:
CAS RN: 30788-29-5
CAS Name: [2-(dimethylamino)cyclohexyl]-trimethylammonium iodide
OPENEYE Name: [2-(dimethylamino)cyclohexyl]-trimethyl-ammonium iodide
IUPAC Name: [2-(dimethylamino)cyclohexyl]-trimethylazanium iodide
SYSTEMATIC NAME: [2-(dimethylamino)cyclohexyl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C11H25IN2
MOLECULAR WEIGHT: 312.23407
SMILES: CN(C)C1CCCCC1[N+](C)(C)C.[I-]
Structure:
CAS RN: 84802-40-4
CAS Name: 2-cyano-1-ethoxy-2-(4-methyl-1-pyridin-1-iumyl)ethenolate
OPENEYE Name: 2-cyano-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)ethenolate
IUPAC Name: 2-cyano-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)ethenolate
SYSTEMATIC NAME: 2-cyano-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)ethenolate
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CCOC(=C(C#N)[N+]1=CC=C(C=C1)C)[O-]
Structure:
CAS RN: 60311-24-2
CAS Name: 3,3-dimercapto-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile; potassium
OPENEYE Name: potassium; 2-(pyrrolidine-1-carbonyl)-3,3-bis(sulfanyl)prop-2-enenitrile
IUPAC Name: potassium; 2-(pyrrolidine-1-carbonyl)-3,3-bis(sulfanyl)prop-2-enenitrile
SYSTEMATIC NAME: potassium; 2-pyrrolidin-1-ylcarbonyl-3,3-bis(sulfanyl)prop-2-enenitrile
MOLECULAR FORMULA: C8H10KN2OS2
MOLECULAR WEIGHT: 253.4061
SMILES: C1CCN(C1)C(=O)C(=C(S)S)C#N.[K]
Structure:
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