ethyl 2-methyl-4-(4-methylphenyl)-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-(4-methylphenyl)-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetyl]-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-5-[2-(4-methyl-1-piperazin-4-iumyl)-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(4-methylphenyl)-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H27N3O4/c1-5-29-22(28)17-15(3)23-19(18(17)16-8-6-14(2)7-9-16)20(26)21(27)25-12-10-24(4)11-13-25/h6-9,23H,5,10-13H2,1-4H3/p+1