[(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c1-16(28-22(26)19-12-14-24(27)15-13-19)21(25)23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,20H,1H3,(H,23,25)/t16-/m1/s1