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

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-2-(thiophen-3-ylsulfanylmethyl)indol-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(3-thienylsulfanylmethyl)indol-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-[(3-thiophenylthio)methyl]-4-indolyl]methyl-dimethylammonium chloride IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(thiophen-3-ylsulfanylmethyl)indol-4-yl]methyl-dimethylazanium chloride Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-methyl-2-[(3-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=CSC=C3.[Cl-]

Isomeric SMILES

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

InChI

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