[3-ethoxycarbonyl-5-oxidanyl-1-phenyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium

Systemtic Name: [3-ethoxycarbonyl-5-oxidanyl-1-phenyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium Openeye Name: [3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-ammonium CAS Name: [3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]-4-indolyl]methyl-dimethylammonium IUPAC Name: [3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]indol-4-yl]methyl-dimethyl-ammonium Formula: C27H29N2O3S+ MolecularWeight: 461.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+](C)C)C3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+](C)C)C3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-4-32-27(31)26-23(18-33-20-13-9-6-10-14-20)29(19-11-7-5-8-12-19)22-15-16-24(30)21(25(22)26)17-28(2)3/h5-16,30H,4,17-18H2,1-3H3/p+1