dodecyl-[1-(hepta-1,6-dien-4-ylazaniumyl)butyl]-dimethyl-azanium bromide chloride

Systemtic Name: dodecyl-[1-(hepta-1,6-dien-4-ylazaniumyl)butyl]-dimethyl-azanium bromide chloride Openeye Name: 1-(1-allylbut-3-enylammonio)butyl-dodecyl-dimethyl-ammonium bromide chloride CAS Name: dodecyl-[1-(hepta-1,6-dien-4-ylammonio)butyl]-dimethylammonium bromide chloride IUPAC Name: dodecyl-[1-(hepta-1,6-dien-4-ylazaniumyl)butyl]-dimethylazanium bromide chloride Traditional Name: 1-(1-allylbut-3-enylammonio)butyl-lauryl-dimethyl-ammonium bromide chloride Formula: C25H52BrClN2 MolecularWeight: 496.05078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(CCC)[NH2+]C(CC=C)CC=C.[Cl-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(CCC)[NH2+]C(CC=C)CC=C.[Cl-].[Br-]

InChI

InChI=1S/C25H51N2.BrH.ClH/c1-7-11-12-13-14-15-16-17-18-19-23-27(5,6)25(22-10-4)26-24(20-8-2)21-9-3;;/h8-9,24-26H,2-3,7,10-23H2,1,4-6H3;2*1H/q+1;;/p-1