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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4/c1-4-29-23(28)20-15(2)21(24-16(20)3)19(26)14-25-12-10-18(11-13-25)22(27)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3/p+1