3-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]butan-1-one Formula: C17H24F3N2O+ MolecularWeight: 329.38047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H23F3N2O/c1-13(2)10-16(23)22-8-6-21(7-9-22)12-14-4-3-5-15(11-14)17(18,19)20/h3-5,11,13H,6-10,12H2,1-2H3/p+1