[2-(3,7-dimethyloct-6-enoxy)-2-oxidanylidene-ethyl]-dodecyl-dimethyl-azanium bromide

Systemtic Name: [2-(3,7-dimethyloct-6-enoxy)-2-oxidanylidene-ethyl]-dodecyl-dimethyl-azanium bromide Openeye Name: [2-(3,7-dimethyloct-6-enoxy)-2-oxo-ethyl]-dodecyl-dimethyl-ammonium bromide CAS Name: [2-(3,7-dimethyloct-6-enoxy)-2-oxoethyl]-dodecyl-dimethylammonium bromide IUPAC Name: [2-(3,7-dimethyloct-6-enoxy)-2-oxoethyl]-dodecyl-dimethylazanium bromide Traditional Name: [2-(3,7-dimethyloct-6-enoxy)-2-keto-ethyl]-lauryl-dimethyl-ammonium bromide Formula: C26H52BrNO2 MolecularWeight: 490.60058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(=O)OCCC(C)CCC=C(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(=O)OCCC(C)CCC=C(C)C.[Br-]

InChI

InChI=1S/C26H52NO2.BrH/c1-7-8-9-10-11-12-13-14-15-16-21-27(5,6)23-26(28)29-22-20-25(4)19-17-18-24(2)3;/h18,25H,7-17,19-23H2,1-6H3;1H/q+1;/p-1