diethyl 5-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C23H32N3O5+ MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H31N3O5/c1-5-30-22(27)20-16(3)21(23(28)31-6-2)24-19(20)15-25-10-12-26(13-11-25)17-8-7-9-18(14-17)29-4/h7-9,14,24H,5-6,10-13,15H2,1-4H3/p+1