[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-oxo-1,2-bis(p-tolyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H19NO4/c1-15-3-7-17(8-4-15)20(24)21(18-9-5-16(2)6-10-18)27-22(25)19-11-13-23(26)14-12-19/h3-14,21H,1-2H3/t21-/m1/s1