[2-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-oxidanylidene-ethyl]-di(tridecan-2-yl)azanium bromide

Systemtic Name: [2-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-oxidanylidene-ethyl]-di(tridecan-2-yl)azanium bromide Openeye Name: [2-(1,5-dimethyl-1-vinyl-hex-4-enoxy)-2-oxo-ethyl]-bis(1-methyldodecyl)ammonium bromide CAS Name: [2-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-oxoethyl]-di(tridecan-2-yl)ammonium bromide IUPAC Name: [2-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-oxoethyl]-di(tridecan-2-yl)azanium bromide Traditional Name: [2-(1,5-dimethyl-1-vinyl-hex-4-enoxy)-2-keto-ethyl]-bis(1-methyldodecyl)ammonium bromide Formula: C38H74BrNO2 MolecularWeight: 656.90366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)[NH+](CC(=O)OC(C)(CCC=C(C)C)C=C)C(C)CCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCC(C)[NH+](CC(=O)OC(C)(CCC=C(C)C)C=C)C(C)CCCCCCCCCCC.[Br-]

InChI

InChI=1S/C38H73NO2.BrH/c1-9-12-14-16-18-20-22-24-26-30-35(6)39(36(7)31-27-25-23-21-19-17-15-13-10-2)33-37(40)41-38(8,11-3)32-28-29-34(4)5;/h11,29,35-36H,3,9-10,12-28,30-33H2,1-2,4-8H3;1H