[6-bromanyl-3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-1-methyl-5-oxidanyl-indol-4-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-1-methyl-5-oxidanyl-indol-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [6-bromo-3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-hydroxy-1-methyl-indol-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [6-bromo-3-ethoxycarbonyl-2-[[(4-ethoxyphenyl)thio]methyl]-5-hydroxy-1-methyl-4-indolyl]methyl-dimethylammonium chloride IUPAC Name: [6-bromo-3-ethoxycarbonyl-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-hydroxy-1-methylindol-4-yl]methyl-dimethylazanium chloride Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-methyl-2-[(p-phenetylthio)methyl]indol-4-yl]methyl-dimethyl-ammonium chloride Formula: C24H30BrClN2O4S MolecularWeight: 557.928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC2=C(C3=C(C(=C(C=C3N2C)Br)O)C[NH+](C)C)C(=O)OCC.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC2=C(C3=C(C(=C(C=C3N2C)Br)O)C[NH+](C)C)C(=O)OCC.[Cl-]

InChI

InChI=1S/C24H29BrN2O4S.ClH/c1-6-30-15-8-10-16(11-9-15)32-14-20-22(24(29)31-7-2)21-17(13-26(3)4)23(28)18(25)12-19(21)27(20)5;/h8-12,28H,6-7,13-14H2,1-5H3;1H