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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-propylpyridin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-propylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-propylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-propylpyridin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

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