[4-[2-(hexadecoxymethyl)prop-2-enoxy]-4-oxidanylidene-butyl]-trimethyl-azanium bromide

Systemtic Name: [4-[2-(hexadecoxymethyl)prop-2-enoxy]-4-oxidanylidene-butyl]-trimethyl-azanium bromide Openeye Name: [4-[2-(hexadecoxymethyl)allyloxy]-4-oxo-butyl]-trimethyl-ammonium bromide CAS Name: [4-[2-(hexadecoxymethyl)prop-2-enoxy]-4-oxobutyl]-trimethylammonium bromide IUPAC Name: [4-[2-(hexadecoxymethyl)prop-2-enoxy]-4-oxobutyl]-trimethylazanium bromide Traditional Name: [4-[2-(cetyloxymethyl)allyloxy]-4-keto-butyl]-trimethyl-ammonium bromide Formula: C27H54BrNO3 MolecularWeight: 520.62656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(=C)COC(=O)CCC[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(=C)COC(=O)CCC[N+](C)(C)C.[Br-]

InChI

InChI=1S/C27H54NO3.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-24-26(2)25-31-27(29)21-20-22-28(3,4)5;/h2,6-25H2,1,3-5H3;1H/q+1;/p-1