ethyl 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 5-hydroxy-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 5-hydroxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C29H32N3O3+ MolecularWeight: 470.58268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C29H31N3O3/c1-3-35-29(34)28-24-19-23(33)13-14-26(24)32(22-10-5-4-6-11-22)27(28)20-30-15-17-31(18-16-30)25-12-8-7-9-21(25)2/h4-14,19,33H,3,15-18,20H2,1-2H3/p+1