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

Systemtic Name: hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium bromide Openeye Name: hexadecyl-[[4-[[hexadecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethyl-ammonium bromide CAS Name: hexadecyl-[[4-[[hexadecyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethylammonium bromide IUPAC Name: hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium bromide Traditional Name: cetyl-[4-[[cetyl(dimethyl)ammonio]methyl]benzyl]-dimethyl-ammonium bromide Formula: C44H86BrN2+ MolecularWeight: 723.07104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H86N2.BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-45(3,4)41-43-35-37-44(38-36-43)42-46(5,6)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h35-38H,7-34,39-42H2,1-6H3;1H/q+2;/p-1