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

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

CCC1=CC=[N+](C=C1)CC(=O)C2=C(NC(=C2C(=O)OCC)C)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)C2=C(NC(=C2C(=O)OCC)C)C

InChI

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