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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2R)-2-(4-propylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2R)-2-(4-propylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2R)-1-oxo-2-(4-propyl-1-pyridin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2R)-2-(4-propylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2R)-2-(4-propylpyridin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C20H26N2O3/c1-6-8-16-9-11-22(12-10-16)15(5)19(23)18-13(3)17(14(4)21-18)20(24)25-7-2/h9-12,15H,6-8H2,1-5H3/p+1/t15-/m1/s1