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

Systemtic Name: (3R)-1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]-N-phenyl-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(C)[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-16-8-6-12-20(14-16)24-21(26)17(2)25-13-7-9-18(15-25)22(27)23-19-10-4-3-5-11-19/h3-6,8,10-12,14,17-18H,7,9,13,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t17-,18+/m0/s1