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

Systemtic Name: ethyl 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CC=CC(=C2C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CC=CC(=C2C)C)C)C

InChI

InChI=1S/C18H22N2O3/c1-6-23-18(22)17-13(4)19-12(3)16(17)15(21)10-20-9-7-8-11(2)14(20)5/h7-9H,6,10H2,1-5H3/p+1