1-cycloheptyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

Systemtic Name: 1-cycloheptyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Openeye Name: 1-cycloheptyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium CAS Name: 1-cycloheptyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-cycloheptyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Traditional Name: 1-cycloheptyl-4-[2-(trifluoromethyl)benzyl]piperazine-1,4-diium Formula: C19H29F3N2+2 MolecularWeight: 342.44217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H27F3N2/c20-19(21,22)18-10-6-5-7-16(18)15-23-11-13-24(14-12-23)17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2/p+2