(2S)-1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(2-benzylanilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(2-benzylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(2-benzylanilino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)N)CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)N)CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c22-21(26)19-12-6-7-13-24(19)15-20(25)23-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H2,22,26)(H,23,25)/p+1/t19-/m0/s1