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

Systemtic Name: [4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecyl-azanium bromide Openeye Name: [4-[[dimethyl(octadecyl)ammonio]methyl]phenyl]methyl-dimethyl-octadecyl-ammonium bromide CAS Name: [4-[[dimethyl(octadecyl)ammonio]methyl]phenyl]methyl-dimethyl-octadecylammonium bromide IUPAC Name: [4-[[dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium bromide Traditional Name: [4-[[dimethyl(stearyl)ammonio]methyl]benzyl]-dimethyl-stearyl-ammonium bromide Formula: C48H94BrN2+ MolecularWeight: 779.17736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H94N2.BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-49(3,4)45-47-39-41-48(42-40-47)46-50(5,6)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h39-42H,7-38,43-46H2,1-6H3;1H/q+2;/p-1