ethyl 1-[(2R)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(3-chlorophenyl)-2-keto-1-methyl-ethyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C17H17ClNO3+ MolecularWeight: 318.77478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)C(C)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)[C@H](C)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H17ClNO3/c1-3-22-17(21)13-7-9-19(10-8-13)12(2)16(20)14-5-4-6-15(18)11-14/h4-12H,3H2,1-2H3/q+1/t12-/m1/s1