[6-bromanyl-3-cyano-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [6-bromanyl-3-cyano-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [6-bromo-3-cyano-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [6-bromo-3-cyano-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-4-indolyl]methyl-dimethylammonium chloride IUPAC Name: [6-bromo-3-cyano-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethylazanium chloride Traditional Name: [6-bromo-3-cyano-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indol-4-yl]methyl-dimethyl-ammonium chloride Formula: C20H21BrClN3OS MolecularWeight: 466.82224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C(=C2C(=C1CSC3=CC=CC=C3)C#N)C[NH+](C)C)O)Br.[Cl-]

Isomeric SMILES

CN1C2=CC(=C(C(=C2C(=C1CSC3=CC=CC=C3)C#N)C[NH+](C)C)O)Br.[Cl-]

InChI

InChI=1S/C20H20BrN3OS.ClH/c1-23(2)11-15-19-14(10-22)18(12-26-13-7-5-4-6-8-13)24(3)17(19)9-16(21)20(15)25;/h4-9,25H,11-12H2,1-3H3;1H