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

Systemtic Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide chloride Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-(p-tolylmethylamino)ethyl]piperidin-1-ium-4-carboxamide chloride CAS Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-piperidin-1-iumcarboxamide chloride IUPAC Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidin-1-ium-4-carboxamide chloride Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[(4-methylbenzyl)amino]ethyl]piperidin-1-ium-4-carboxamide chloride Formula: C23H30ClN3O2 MolecularWeight: 415.9562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3.[Cl-]

InChI

InChI=1S/C23H29N3O2.ClH/c1-17-7-9-19(10-8-17)16-25-23(28)21(15-18-5-3-2-4-6-18)26-22(27)20-11-13-24-14-12-20;/h2-10,20-21,24H,11-16H2,1H3,(H,25,28)(H,26,27);1H/t21-;/m0./s1