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

Systemtic Name: ethyl 5-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-5-24-18(23)16-11(2)17(19-12(16)3)15(22)10-20-8-6-7-14(9-20)13(4)21/h6-9H,5,10H2,1-4H3/p+1