methyl 2,4-dimethyl-5-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H21N2O4+ MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c1-14-19(22(27)28-3)15(2)23-20(14)18(25)13-24-11-9-17(10-12-24)21(26)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3/p+1