[(9S,10S)-9,10-bis(oxidanyl)octadecyl]-trimethyl-azanium bromide

Systemtic Name: [(9S,10S)-9,10-bis(oxidanyl)octadecyl]-trimethyl-azanium bromide Openeye Name: [(9S,10S)-9,10-dihydroxyoctadecyl]-trimethyl-ammonium bromide CAS Name: [(9S,10S)-9,10-dihydroxyoctadecyl]-trimethylammonium bromide IUPAC Name: [(9S,10S)-9,10-dihydroxyoctadecyl]-trimethylazanium bromide Traditional Name: [(9S,10S)-9,10-dihydroxyoctadecyl]-trimethyl-ammonium bromide Formula: C21H46BrNO2 MolecularWeight: 424.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC[N+](C)(C)C)O)O.[Br-]

Isomeric SMILES

CCCCCCCC[C@@H]([C@H](CCCCCCCC[N+](C)(C)C)O)O.[Br-]

InChI

InChI=1S/C21H46NO2.BrH/c1-5-6-7-8-11-14-17-20(23)21(24)18-15-12-9-10-13-16-19-22(2,3)4;/h20-21,23-24H,5-19H2,1-4H3;1H/q+1;/p-1/t20-,21-;/m0./s1