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

Systemtic Name: methyl 5-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H19N2O4+ MolecularWeight: 315.34376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-10-15(17(22)23-4)11(2)18-16(10)14(21)9-19-7-5-6-13(8-19)12(3)20/h5-8H,9H2,1-4H3/p+1