1-[(4-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C19H21BrF3N2+ MolecularWeight: 414.28265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20BrF3N2/c20-17-7-5-15(6-8-17)13-24-9-11-25(12-10-24)14-16-3-1-2-4-18(16)19(21,22)23/h1-8H,9-14H2/p+1