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

Systemtic Name: ethyl 1-(4-methoxyphenyl)-2-methyl-4-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[[4-(p-tolyl)piperazin-1-ium-1-yl]methyl]indole-3-carboxylate CAS Name: 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[[4-(4-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-3-carboxylate Traditional Name: 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-[[4-(p-tolyl)piperazin-1-ium-1-yl]methyl]indole-3-carboxylic acid ethyl ester Formula: C31H36N3O4+ MolecularWeight: 514.63524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C31H35N3O4/c1-5-38-31(36)29-22(3)34(24-10-12-25(37-4)13-11-24)27-14-15-28(35)26(30(27)29)20-32-16-18-33(19-17-32)23-8-6-21(2)7-9-23/h6-15,35H,5,16-20H2,1-4H3/p+1