dodecyl-[6-[(4-ethenylphenyl)methyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium bromide chloride

Systemtic Name: dodecyl-[6-[(4-ethenylphenyl)methyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium bromide chloride Openeye Name: 6-[dimethyl-[(4-vinylphenyl)methyl]ammonio]hexyl-dodecyl-dimethyl-ammonium bromide chloride CAS Name: dodecyl-[6-[(4-ethenylphenyl)methyl-dimethylammonio]hexyl]-dimethylammonium bromide chloride IUPAC Name: dodecyl-[6-[(4-ethenylphenyl)methyl-dimethylazaniumyl]hexyl]-dimethylazanium bromide chloride Traditional Name: 6-[dimethyl-(4-vinylbenzyl)ammonio]hexyl-lauryl-dimethyl-ammonium bromide chloride Formula: C31H58BrClN2 MolecularWeight: 574.16262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H58N2.BrH.ClH/c1-7-9-10-11-12-13-14-15-16-19-26-32(3,4)27-20-17-18-21-28-33(5,6)29-31-24-22-30(8-2)23-25-31;;/h8,22-25H,2,7,9-21,26-29H2,1,3-6H3;2*1H/q+2;;/p-2