piperazin-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone

Systemtic Name: piperazin-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone Openeye Name: piperazin-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone CAS Name: 1-piperazin-4-iumyl-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: piperazin-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone Traditional Name: piperazin-4-ium-1-yl-[2-(trifluoromethyl)phenyl]methanone Formula: C12H14F3N2O+ MolecularWeight: 259.24757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-9(10)11(18)17-7-5-16-6-8-17/h1-4,16H,5-8H2/p+1