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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(NC(=C2C(=O)OCC)C)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(NC(=C2C(=O)OCC)C)C

InChI

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