(3S)-1-[2-(diphenylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(diphenylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(N-phenylanilino)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(N-phenylanilino)ethyl]piperidin-1-ium-3-carboxylate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H22N2O3/c23-19(15-21-13-7-8-16(14-21)20(24)25)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,24,25)/t16-/m0/s1