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

Systemtic Name: [6-bromanyl-2-[(4-chlorophenyl)sulfanylmethyl]-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-3-ethoxycarbonyl-5-hydroxy-1-methyl-indol-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-2-[[(4-chlorophenyl)thio]methyl]-3-ethoxycarbonyl-5-hydroxy-1-methyl-4-indolyl]methyl-dimethylammonium IUPAC Name: [6-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-3-ethoxycarbonyl-5-hydroxy-1-methylindol-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-2-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-1-methyl-indol-4-yl]methyl-dimethyl-ammonium Formula: C22H25BrClN2O3S+ MolecularWeight: 512.8675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24BrClN2O3S/c1-5-29-22(28)20-18(12-30-14-8-6-13(24)7-9-14)26(4)17-10-16(23)21(27)15(19(17)20)11-25(2)3/h6-10,27H,5,11-12H2,1-4H3/p+1