5-[2-methoxy-3-(12-oxidanyloctadecoxy)propoxy]pentyl-trimethyl-azanium bromide

Systemtic Name: 5-[2-methoxy-3-(12-oxidanyloctadecoxy)propoxy]pentyl-trimethyl-azanium bromide Openeye Name: 5-[3-(12-hydroxyoctadecoxy)-2-methoxy-propoxy]pentyl-trimethyl-ammonium bromide CAS Name: 5-[3-(12-hydroxyoctadecoxy)-2-methoxypropoxy]pentyl-trimethylammonium bromide IUPAC Name: 5-[3-(12-hydroxyoctadecoxy)-2-methoxypropoxy]pentyl-trimethylazanium bromide Traditional Name: 5-[3-(12-hydroxyoctadecoxy)-2-methoxy-propoxy]pentyl-trimethyl-ammonium bromide Formula: C30H64BrNO4 MolecularWeight: 582.73746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCCOCC(COCCCCC[N+](C)(C)C)OC)O.[Br-]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCCOCC(COCCCCC[N+](C)(C)C)OC)O.[Br-]

InChI

InChI=1S/C30H64NO4.BrH/c1-6-7-8-17-22-29(32)23-18-14-12-10-9-11-13-15-20-25-34-27-30(33-5)28-35-26-21-16-19-24-31(2,3)4;/h29-30,32H,6-28H2,1-5H3;1H/q+1;/p-1