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

Systemtic Name: [3-ethoxycarbonyl-1-(4-methoxyphenyl)-2-methyl-5-oxidanyl-indol-4-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-ethoxycarbonyl-5-hydroxy-1-(4-methoxyphenyl)-2-methyl-indol-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-ethoxycarbonyl-5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-indolyl]methyl-dimethylammonium chloride IUPAC Name: [3-ethoxycarbonyl-5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-4-yl]methyl-dimethylazanium chloride Traditional Name: [3-carbethoxy-5-hydroxy-1-(4-methoxyphenyl)-2-methyl-indol-4-yl]methyl-dimethyl-ammonium chloride Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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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)C3=CC=C(C=C3)OC)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+](C)C)C3=CC=C(C=C3)OC)C.[Cl-]

InChI

InChI=1S/C22H26N2O4.ClH/c1-6-28-22(26)20-14(2)24(15-7-9-16(27-5)10-8-15)18-11-12-19(25)17(21(18)20)13-23(3)4;/h7-12,25H,6,13H2,1-5H3;1H