(2R,3S)-6-oxidanylidene-2-phenyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxylate

Systemtic Name: (2R,3S)-6-oxidanylidene-2-phenyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxylate Openeye Name: (2R,3S)-1-(1-benzylpiperidin-1-ium-4-yl)-6-oxo-2-phenyl-piperidine-3-carboxylate CAS Name: (2R,3S)-6-oxo-2-phenyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxylate IUPAC Name: (2R,3S)-1-(1-benzylpiperidin-1-ium-4-yl)-6-oxo-2-phenylpiperidine-3-carboxylate Traditional Name: (2R,3S)-1-(1-benzylpiperidin-1-ium-4-yl)-6-keto-2-phenyl-nipecotate Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(C1C(=O)[O-])C2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N([C@H]([C@H]1C(=O)[O-])C2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c27-22-12-11-21(24(28)29)23(19-9-5-2-6-10-19)26(22)20-13-15-25(16-14-20)17-18-7-3-1-4-8-18/h1-10,20-21,23H,11-17H2,(H,28,29)/t21-,23-/m0/s1