6-[dimethyl(4-oxidanylbutyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium; 4-methylbenzenesulfonate; bromide

Systemtic Name: 6-[dimethyl(4-oxidanylbutyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium; 4-methylbenzenesulfonate; bromide Openeye Name: dodecyl-[6-[4-hydroxybutyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium; 4-methylbenzenesulfonate; bromide CAS Name: dodecyl-[6-[4-hydroxybutyl(dimethyl)ammonio]hexyl]-dimethylammonium; 4-methylbenzenesulfonate; bromide IUPAC Name: dodecyl-[6-[4-hydroxybutyl(dimethyl)azaniumyl]hexyl]-dimethylazanium; 4-methylbenzenesulfonate; bromide Traditional Name: 4-hydroxybutyl-[6-[lauryl(dimethyl)ammonio]hexyl]-dimethyl-ammonium bromide tosylate Formula: C33H65BrN2O4S MolecularWeight: 665.8492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCO.CC1=CC=C(C=C1)S(=O)(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCO.CC1=CC=C(C=C1)S(=O)(=O)[O-].[Br-]

InChI

InChI=1S/C26H58N2O.C7H8O3S.BrH/c1-6-7-8-9-10-11-12-13-14-17-22-27(2,3)23-18-15-16-19-24-28(4,5)25-20-21-26-29;1-6-2-4-7(5-3-6)11(8,9)10;/h29H,6-26H2,1-5H3;2-5H,1H3,(H,8,9,10);1H/q+2;;/p-2