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

Systemtic Name: N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide chloride Openeye Name: N-[(1S)-1-benzyl-2-(4-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide chloride CAS Name: N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-4-piperidin-1-iumcarboxamide chloride IUPAC Name: N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]piperidin-1-ium-4-carboxamide chloride Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(p-toluidino)ethyl]piperidin-1-ium-4-carboxamide chloride Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2.ClH/c1-16-7-9-19(10-8-16)24-22(27)20(15-17-5-3-2-4-6-17)25-21(26)18-11-13-23-14-12-18;/h2-10,18,20,23H,11-15H2,1H3,(H,24,27)(H,25,26);1H/t20-;/m0./s1