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

Systemtic Name: (3R)-1-[(1R)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1R)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCC(C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCC[C@H](C3)C(=O)N)C

InChI

InChI=1S/C22H27N3O2/c1-15-11-16(2)13-19(12-15)24-22(27)20(17-7-4-3-5-8-17)25-10-6-9-18(14-25)21(23)26/h3-5,7-8,11-13,18,20H,6,9-10,14H2,1-2H3,(H2,23,26)(H,24,27)/p+1/t18-,20-/m1/s1