3-[[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(trifluoromethoxy)benzyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H21F3N3O+ MolecularWeight: 376.39545

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)OC(F)(F)F

InChI

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