1-[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O2/c1-20-17-21(2)19-25(18-20)30-28(33)26(22-9-5-3-6-10-22)31-15-13-23(14-16-31)27(32)29-24-11-7-4-8-12-24/h3-12,17-19,23,26H,13-16H2,1-2H3,(H,29,32)(H,30,33)/p+1/t26-/m0/s1