1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-[(1-phenyl-5-tetrazolyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C20H22F3N6+ MolecularWeight: 403.42409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)CC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)CC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H21F3N6/c21-20(22,23)17-6-4-5-16(13-17)14-27-9-11-28(12-10-27)15-19-24-25-26-29(19)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2/p+1