2-[[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[4-(trifluoromethoxy)benzyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H21F3N3O+ MolecularWeight: 376.39545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H20F3N3O/c21-20(22,23)27-19-7-5-16(6-8-19)14-25-9-11-26(12-10-25)15-18-4-2-1-3-17(18)13-24/h1-8H,9-12,14-15H2/p+1