methyl 5-[(2R)-2-(4-ethylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C18H22N2O3/c1-6-14-7-9-20(10-8-14)13(4)17(21)16-11(2)15(12(3)19-16)18(22)23-5/h7-10,13H,6H2,1-5H3/p+1/t13-/m1/s1