Monday, August 1, 2011

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3
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Product OPENEYE NAME: trimethyl-(1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl)ammonium bromide
CAS Name: trimethyl-[1-oxo-1-(10-phenothiazinyl)propan-2-yl]ammonium bromide
IUPAC NAME: trimethyl-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)azanium bromide
SYSTEMATIC NAME: trimethyl-(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl)azanium bromide
MOLECULAR FORMULA: C18H21BrN2OS
MOLECULAR WEIGHT: 393.34114
SMILES: CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.[Br-]
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Product OPENEYE NAME: trimethyl-(1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl)ammonium
CAS Name: trimethyl-[1-oxo-1-(10-phenothiazinyl)propan-2-yl]ammonium
IUPAC NAME: trimethyl-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)azanium
SYSTEMATIC NAME: trimethyl-(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl)azanium
MOLECULAR FORMULA: C18H21N2OS+
MOLECULAR WEIGHT: 313.43714
SMILES: CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C
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Product OPENEYE NAME: diisopropyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium bromide
CAS Name: methyl-[2-[oxo(9H-xanthen-9-yl)methoxy]ethyl]-di(propan-2-yl)ammonium bromide
IUPAC NAME: methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
SYSTEMATIC NAME: methyl-di(propan-2-yl)-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium bromide
MOLECULAR FORMULA: C23H30BrNO3
MOLECULAR WEIGHT: 448.3932
SMILES: CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-]
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Product OPENEYE NAME: methyl 2-phenyl-2-(2-piperidyl)acetate hydrochloride
CAS Name: 2-phenyl-2-(2-piperidinyl)acetic acid methyl ester hydrochloride
IUPAC NAME: methyl 2-phenyl-2-piperidin-2-ylacetate hydrochloride
SYSTEMATIC NAME: methyl 2-phenyl-2-piperidin-2-yl-ethanoate hydrochloride
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl
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Product OPENEYE NAME: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium dichloride
CAS Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-2-tetrazol-2-iumyl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium dichloride
IUPAC NAME: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium dichloride
SYSTEMATIC NAME: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium dichloride
MOLECULAR FORMULA: C40H30Cl2N10O6
MOLECULAR WEIGHT: 817.6356
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]
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Product OPENEYE NAME: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium
CAS Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-2-tetrazol-2-iumyl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium
IUPAC NAME: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium
SYSTEMATIC NAME: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C40H30N10O6+2
MOLECULAR WEIGHT: 746.7296
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8
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Product OPENEYE NAME: 2,3,5-triphenyltetrazol-2-ium chloride
CAS Name: 2,3,5-triphenyltetrazol-2-ium chloride
IUPAC NAME: 2,3,5-triphenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 2,3,5-triphenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C19H15ClN4
MOLECULAR WEIGHT: 334.8022
SMILES: C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 2,3,5-triphenyltetrazol-2-ium
CAS Name: 2,3,5-triphenyltetrazol-2-ium
IUPAC NAME: 2,3,5-triphenyltetrazol-2-ium
SYSTEMATIC NAME: 2,3,5-triphenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C19H15N4+
MOLECULAR WEIGHT: 299.3492
SMILES: C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-methylphenazin-5-ium; methyl sulfate
CAS Name: 5-methylphenazin-5-ium; methyl sulfate
IUPAC NAME: 5-methylphenazin-5-ium; methyl sulfate
SYSTEMATIC NAME: 5-methylphenazin-5-ium; methyl sulfate
MOLECULAR FORMULA: C14H14N2O4S
MOLECULAR WEIGHT: 306.33696
SMILES: C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]
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Product OPENEYE NAME: 5-methylphenazin-5-ium
CAS Name: 5-methylphenazin-5-ium
IUPAC NAME: 5-methylphenazin-5-ium
SYSTEMATIC NAME: 5-methylphenazin-5-ium
MOLECULAR FORMULA: C13H11N2+
MOLECULAR WEIGHT: 195.23984
SMILES: C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31
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Product OPENEYE NAME: 1-(1H-indol-3-yl)propan-2-amine
CAS Name: 1-(1H-indol-3-yl)-2-propanamine
IUPAC NAME: 1-(1H-indol-3-yl)propan-2-amine
SYSTEMATIC NAME: 1-(1H-indol-3-yl)propan-2-amine
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CC(CC1=CNC2=CC=CC=C21)N
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