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

Systemtic Name: ethyl 2-methyl-5-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-oxo-acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1,2-dioxoethyl]-4-phenyl-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-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-5-30-23(29)18-15(2)24-20(19(18)16-9-7-6-8-10-16)21(27)22(28)26(4)17-11-13-25(3)14-12-17/h6-10,17,24H,5,11-14H2,1-4H3/p+1