[5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-(4-methylphenyl)indol-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-(4-methylphenyl)indol-2-yl]methyl-dimethyl-azanium Openeye Name: [5-acetoxy-6-bromo-3-ethoxycarbonyl-1-(p-tolyl)indol-2-yl]methyl-dimethyl-ammonium CAS Name: [5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-(4-methylphenyl)-2-indolyl]methyl-dimethylammonium IUPAC Name: [5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-(4-methylphenyl)indol-2-yl]methyl-dimethylazanium Traditional Name: [5-acetoxy-6-bromo-3-carbethoxy-1-(p-tolyl)indol-2-yl]methyl-dimethyl-ammonium Formula: C23H26BrN2O4+ MolecularWeight: 474.36754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O4/c1-6-29-23(28)22-17-11-21(30-15(3)27)18(24)12-19(17)26(20(22)13-25(4)5)16-9-7-14(2)8-10-16/h7-12H,6,13H2,1-5H3/p+1