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

Systemtic Name: [5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-(4-methylphenyl)indol-2-yl]methyl-diethyl-azanium Openeye Name: [5-acetoxy-6-bromo-3-ethoxycarbonyl-1-(p-tolyl)indol-2-yl]methyl-diethyl-ammonium CAS Name: [5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-(4-methylphenyl)-2-indolyl]methyl-diethylammonium IUPAC Name: [5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-(4-methylphenyl)indol-2-yl]methyl-diethylazanium Traditional Name: [5-acetoxy-6-bromo-3-carbethoxy-1-(p-tolyl)indol-2-yl]methyl-diethyl-ammonium Formula: C25H30BrN2O4+ MolecularWeight: 502.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=CC(=C(C=C2N1C3=CC=C(C=C3)C)Br)OC(=O)C)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=CC(=C(C=C2N1C3=CC=C(C=C3)C)Br)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C25H29BrN2O4/c1-6-27(7-2)15-22-24(25(30)31-8-3)19-13-23(32-17(5)29)20(26)14-21(19)28(22)18-11-9-16(4)10-12-18/h9-14H,6-8,15H2,1-5H3/p+1