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

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17(21(26)23-15-18-9-4-2-5-10-18)25-14-8-11-19(16-25)22(27)24-20-12-6-3-7-13-20/h2-7,9-10,12-13,17,19H,8,11,14-16H2,1H3,(H,23,26)(H,24,27)/p+1/t17-,19+/m0/s1