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

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-2-(thiophen-2-ylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(2-thienylsulfanylmethyl)indol-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-[(thiophen-2-ylthio)methyl]-4-indolyl]methyl-dimethylammonium chloride IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(thiophen-2-ylsulfanylmethyl)indol-4-yl]methyl-dimethylazanium chloride Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-methyl-2-[(2-thienylthio)methyl]indol-4-yl]methyl-dimethyl-ammonium chloride Formula: C20H24BrClN2O3S2 MolecularWeight: 519.90316

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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=CS3.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C)CSC3=CC=CS3.[Cl-]

InChI

InChI=1S/C20H23BrN2O3S2.ClH/c1-5-26-20(25)18-15(11-28-16-7-6-8-27-16)23(4)14-9-13(21)19(24)12(17(14)18)10-22(2)3;/h6-9,24H,5,10-11H2,1-4H3;1H