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

Systemtic Name: diethyl 3-methyl-5-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate chloride Openeye Name: diethyl 5-[(4-benzoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate chloride CAS Name: 5-[(4-benzoyl-1-pyridin-1-iumyl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester chloride IUPAC Name: diethyl 5-[(4-benzoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate chloride Traditional Name: 5-[(4-benzoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester chloride Formula: C24H25ClN2O5 MolecularWeight: 456.9187

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5.ClH/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;1H