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

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H19FN3+ MolecularWeight: 296.361963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)C3=CC=CC=C3F

InChI

InChI=1S/C18H18FN3/c19-17-7-3-4-8-18(17)22-11-9-21(10-12-22)14-16-6-2-1-5-15(16)13-20/h1-8H,9-12,14H2/p+1