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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-6-16(7-2)17-9-11-23(12-10-17)13-18(24)19-14(4)22-15(5)20(19)21(25)26-8-3/h9-12,16H,6-8,13H2,1-5H3/p+1