1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium chloride

Systemtic Name: 1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium chloride Openeye Name: 1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium chloride CAS Name: 1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium chloride IUPAC Name: 1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium chloride Traditional Name: 1-[3-(trifluoromethyl)benzyl]piperazin-4-ium chloride Formula: C12H16ClF3N2 MolecularWeight: 280.71705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)C(F)(F)F.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)C(F)(F)F.[Cl-]

InChI

InChI=1S/C12H15F3N2.ClH/c13-12(14,15)11-3-1-2-10(8-11)9-17-6-4-16-5-7-17;/h1-3,8,16H,4-7,9H2;1H