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

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]-4-indolyl]methyl-dimethylammonium chloride IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indol-4-yl]methyl-dimethylazanium chloride Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]indol-4-yl]methyl-dimethyl-ammonium chloride Formula: C27H28BrClN2O3S MolecularWeight: 575.94482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C3=CC=CC=C3)CSC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C3=CC=CC=C3)CSC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H27BrN2O3S.ClH/c1-4-33-27(32)25-23(17-34-19-13-9-6-10-14-19)30(18-11-7-5-8-12-18)22-15-21(28)26(31)20(24(22)25)16-29(2)3;/h5-15,31H,4,16-17H2,1-3H3;1H