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

Systemtic Name: hexyl-[[4-[[hexyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium bromide Openeye Name: hexyl-[[4-[[hexyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethyl-ammonium bromide CAS Name: hexyl-[[4-[[hexyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethylammonium bromide IUPAC Name: hexyl-[[4-[[hexyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium bromide Traditional Name: hexyl-[4-[[hexyl(dimethyl)ammonio]methyl]benzyl]-dimethyl-ammonium bromide Formula: C24H46BrN2+ MolecularWeight: 442.53944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46N2.BrH/c1-7-9-11-13-19-25(3,4)21-23-15-17-24(18-16-23)22-26(5,6)20-14-12-10-8-2;/h15-18H,7-14,19-22H2,1-6H3;1H/q+2;/p-1