(3S,6S)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-6-methyl-N-[3-(trifluoromethyl)benzyl]piperidin-1-ium-3-carboxamide Formula: C15H20F3N2O+ MolecularWeight: 301.32731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C15H19F3N2O/c1-10-5-6-12(9-19-10)14(21)20-8-11-3-2-4-13(7-11)15(16,17)18/h2-4,7,10,12,19H,5-6,8-9H2,1H3,(H,20,21)/p+1/t10-,12-/m0/s1