trimethyl-[4-(3-octadecoxy-2-oxidanyl-propoxy)butyl]azanium bromide

Systemtic Name: trimethyl-[4-(3-octadecoxy-2-oxidanyl-propoxy)butyl]azanium bromide Openeye Name: 4-(2-hydroxy-3-octadecoxy-propoxy)butyl-trimethyl-ammonium bromide CAS Name: 4-(2-hydroxy-3-octadecoxypropoxy)butyl-trimethylammonium bromide IUPAC Name: 4-(2-hydroxy-3-octadecoxypropoxy)butyl-trimethylazanium bromide Traditional Name: 4-(2-hydroxy-3-stearyloxy-propoxy)butyl-trimethyl-ammonium bromide Formula: C28H60BrNO3 MolecularWeight: 538.6849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)O.[Br-]

InChI

InChI=1S/C28H60NO3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-31-26-28(30)27-32-25-22-20-23-29(2,3)4;/h28,30H,5-27H2,1-4H3;1H/q+1;/p-1