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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(3-phenylpyridin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(3-phenylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(3-phenylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(3-phenylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-14-19(21(25)26-3)15(2)22-20(14)18(24)13-23-11-7-10-17(12-23)16-8-5-4-6-9-16/h4-12H,13H2,1-3H3/p+1