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

Systemtic Name: (3S,6S)-6-methyl-N-[3-(trifluoromethyloxy)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-6-methyl-N-[3-(trifluoromethoxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-6-methyl-N-[3-(trifluoromethoxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-6-methyl-N-[3-(trifluoromethoxy)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-6-methyl-N-[3-(trifluoromethoxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C14H18F3N2O2+ MolecularWeight: 303.30013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NC2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NC2=CC(=CC=C2)OC(F)(F)F

InChI

InChI=1S/C14H17F3N2O2/c1-9-5-6-10(8-18-9)13(20)19-11-3-2-4-12(7-11)21-14(15,16)17/h2-4,7,9-10,18H,5-6,8H2,1H3,(H,19,20)/p+1/t9-,10-/m0/s1