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

Systemtic Name: (6-bromanyl-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-indol-2-yl)methyl-dimethyl-azanium chloride Openeye Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-indol-2-yl)methyl-dimethyl-ammonium chloride CAS Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-indolyl)methyl-dimethylammonium chloride IUPAC Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenylindol-2-yl)methyl-dimethylazanium chloride Traditional Name: (6-bromo-3-carbethoxy-5-hydroxy-1-phenyl-indol-2-yl)methyl-dimethyl-ammonium chloride Formula: C20H22BrClN2O3 MolecularWeight: 453.75728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3.ClH/c1-4-26-20(25)19-14-10-18(24)15(21)11-16(14)23(17(19)12-22(2)3)13-8-6-5-7-9-13;/h5-11,24H,4,12H2,1-3H3;1H