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

Systemtic Name: 1-(3-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C18H19ClF3N2+ MolecularWeight: 355.80507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClF3N2/c19-16-2-1-3-17(12-16)24-10-8-23(9-11-24)13-14-4-6-15(7-5-14)18(20,21)22/h1-7,12H,8-11,13H2/p+1