(3R)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-17-10-12-19(13-11-17)15-24-22(27)18(2)26-14-6-7-20(16-26)23(28)25-21-8-4-3-5-9-21/h3-5,8-13,18,20H,6-7,14-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t18-,20+/m0/s1