[4-[[dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octyl-azanium bromide

Systemtic Name: [4-[[dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octyl-azanium bromide Openeye Name: [4-[[dimethyl(octyl)ammonio]methyl]phenyl]methyl-dimethyl-octyl-ammonium bromide CAS Name: [4-[[dimethyl(octyl)ammonio]methyl]phenyl]methyl-dimethyl-octylammonium bromide IUPAC Name: [4-[[dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium bromide Traditional Name: [4-[[dimethyl(octyl)ammonio]methyl]benzyl]-dimethyl-octyl-ammonium bromide Formula: C28H54BrN2+ MolecularWeight: 498.64576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCC.[Br-]

InChI

InChI=1S/C28H54N2.BrH/c1-7-9-11-13-15-17-23-29(3,4)25-27-19-21-28(22-20-27)26-30(5,6)24-18-16-14-12-10-8-2;/h19-22H,7-18,23-26H2,1-6H3;1H/q+2;/p-1