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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C20H26N2O3/c1-6-15(7-2)16-8-10-22(11-9-16)12-17(23)19-13(3)18(14(4)21-19)20(24)25-5/h8-11,15H,6-7,12H2,1-5H3/p+1