[6-[2-(hexadecoxymethyl)pentoxy]-6-oxidanylidene-hexyl]-trimethyl-azanium bromide

Systemtic Name: [6-[2-(hexadecoxymethyl)pentoxy]-6-oxidanylidene-hexyl]-trimethyl-azanium bromide Openeye Name: [6-[2-(hexadecoxymethyl)pentoxy]-6-oxo-hexyl]-trimethyl-ammonium bromide CAS Name: [6-[2-(hexadecoxymethyl)pentoxy]-6-oxohexyl]-trimethylammonium bromide IUPAC Name: [6-[2-(hexadecoxymethyl)pentoxy]-6-oxohexyl]-trimethylazanium bromide Traditional Name: [6-[2-(cetyloxymethyl)pentoxy]-6-keto-hexyl]-trimethyl-ammonium bromide Formula: C31H64BrNO3 MolecularWeight: 578.74876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H64NO3.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-27-34-28-30(24-7-2)29-35-31(33)25-21-20-22-26-32(3,4)5;/h30H,6-29H2,1-5H3;1H/q+1;/p-1