(3S)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(benzylamino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(benzylamino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(benzylamino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c25-20(22-14-17-8-3-1-4-9-17)16-24-13-7-10-18(15-24)21(26)23-19-11-5-2-6-12-19/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,22,25)(H,23,26)/p+1/t18-/m0/s1