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

Systemtic Name: ethyl 5-[(2R)-2-(4-ethylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-6-15-8-10-21(11-9-15)14(5)18(22)17-12(3)16(13(4)20-17)19(23)24-7-2/h8-11,14H,6-7H2,1-5H3/p+1/t14-/m1/s1