1-[4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]tridecyl-dimethyl-octadecyl-azanium

Systemtic Name: 1-[4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]tridecyl-dimethyl-octadecyl-azanium Openeye Name: 1-[4-[[dimethyl(octadecyl)ammonio]methyl]phenyl]tridecyl-dimethyl-octadecyl-ammonium CAS Name: 1-[4-[[dimethyl(octadecyl)ammonio]methyl]phenyl]tridecyl-dimethyl-octadecylammonium IUPAC Name: 1-[4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]tridecyl-dimethyl-octadecylazanium Traditional Name: 1-[4-[[dimethyl(stearyl)ammonio]methyl]phenyl]tridecyl-dimethyl-stearyl-ammonium Formula: C60H118N2+2 MolecularWeight: 867.59232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C(CCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C(CCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H118N2/c1-8-11-14-17-20-23-26-28-30-32-34-36-39-42-45-48-55-61(4,5)57-58-51-53-59(54-52-58)60(50-47-44-41-38-25-22-19-16-13-10-3)62(6,7)56-49-46-43-40-37-35-33-31-29-27-24-21-18-15-12-9-2/h51-54,60H,8-50,55-57H2,1-7H3/q+2