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

Systemtic Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H18F3N4O2+ MolecularWeight: 391.36703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O2/c20-19(21,22)16-5-6-17(18(11-16)26(27)28)25-9-7-24(8-10-25)13-15-4-2-1-3-14(15)12-23/h1-6,11H,7-10,13H2/p+1