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

Systemtic Name: ethyl 2-methyl-5-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethanoyl]-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-oxo-acetyl]-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1,2-dioxoethyl]-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-oxoacetyl]-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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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)N(C)C3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)N(C)C3CC[NH+](CC3)C)C

InChI

InChI=1S/C24H31N3O4/c1-6-31-24(30)19-16(3)25-21(20(19)17-9-7-15(2)8-10-17)22(28)23(29)27(5)18-11-13-26(4)14-12-18/h7-10,18,25H,6,11-14H2,1-5H3/p+1