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

Systemtic Name: ethyl 2-methyl-4-(4-methylphenyl)-5-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-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)amino]-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)amino]-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-[(4-methylpiperazin-4-ium-1-yl)amino]acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N4O4+ MolecularWeight: 413.49006

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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)NN3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)NN3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H28N4O4/c1-5-30-22(29)17-15(3)23-19(18(17)16-8-6-14(2)7-9-16)20(27)21(28)24-26-12-10-25(4)11-13-26/h6-9,23H,5,10-13H2,1-4H3,(H,24,28)/p+1