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

Systemtic Name: ethyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-6-15-9-8-12(3)21(10-15)11-16(22)17-13(4)20-14(5)18(17)19(23)24-7-2/h8-10H,6-7,11H2,1-5H3/p+1