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

Systemtic Name: (3R)-1-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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