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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-benzylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-benzylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-benzylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H25N2O3+ MolecularWeight: 377.4562

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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)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H24N2O3/c1-4-28-23(27)21-16(2)22(24-17(21)3)20(26)15-25-12-10-19(11-13-25)14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3/p+1