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

Systemtic Name: diethyl 3-methyl-5-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-benzoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(4-benzoyl-1-pyridin-1-iumyl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-benzoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(4-benzoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C24H25N2O5+ MolecularWeight: 421.4657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5/c1-4-30-23(28)20-16(3)21(24(29)31-5-2)25-19(20)15-26-13-11-18(12-14-26)22(27)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3/p+1