1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium Openeye Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium CAS Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium Traditional Name: 1-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-ium Formula: C13H18F3N2+ MolecularWeight: 259.29063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2/c14-13(15,16)12-4-2-11(3-5-12)10-18-8-1-6-17-7-9-18/h2-5,17H,1,6-10H2/p+1