2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[[2-(trifluoromethyloxy)phenyl]methyl]ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[[2-(trifluoromethyloxy)phenyl]methyl]ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[2-(trifluoromethoxy)benzyl]acetamide Formula: C16H22F3N2O2+ MolecularWeight: 331.35329

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NCC2=CC=CC=C2OC(F)(F)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NCC2=CC=CC=C2OC(F)(F)F

InChI

InChI=1S/C16H21F3N2O2/c1-12-5-4-8-21(10-12)11-15(22)20-9-13-6-2-3-7-14(13)23-16(17,18)19/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,22)/p+1/t12-/m0/s1