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

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-(benzylcarbamoyl)propyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(benzylamino)-1-oxobutan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-1-(benzylcarbamoyl)propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-2-21(23(28)24-16-18-10-5-3-6-11-18)26-15-9-12-19(17-26)22(27)25-20-13-7-4-8-14-20/h3-8,10-11,13-14,19,21H,2,9,12,15-17H2,1H3,(H,24,28)(H,25,27)/p+1/t19-,21+/m1/s1