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

Systemtic Name: [3-ethoxycarbonyl-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium Openeye Name: [3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-ammonium CAS Name: [3-ethoxycarbonyl-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-4-indolyl]methyl-dimethylammonium IUPAC Name: [3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indol-4-yl]methyl-dimethyl-ammonium Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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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)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+](C)C)C)CSC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-5-27-22(26)21-18(14-28-15-9-7-6-8-10-15)24(4)17-11-12-19(25)16(20(17)21)13-23(2)3/h6-12,25H,5,13-14H2,1-4H3/p+1