hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; (3-methyl-2-oxidanyl-henicosan-2-yl)azanium; dibromide

Systemtic Name: hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; (3-methyl-2-oxidanyl-henicosan-2-yl)azanium; dibromide Openeye Name: hexadecyl-(1-hydroxyethyl)-dimethyl-ammonium; (1-hydroxy-1,2-dimethyl-icosyl)ammonium; dibromide CAS Name: hexadecyl-(1-hydroxyethyl)-dimethylammonium; (2-hydroxy-3-methylheneicosan-2-yl)ammonium; dibromide IUPAC Name: hexadecyl-(1-hydroxyethyl)-dimethylazanium; (2-hydroxy-3-methylhenicosan-2-yl)azanium; dibromide Traditional Name: cetyl-(1-hydroxyethyl)-dimethyl-ammonium; (1-hydroxy-1,2-dimethyl-eicosyl)ammonium; dibromide Formula: C42H92Br2N2O2 MolecularWeight: 817.00008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)C(C)([NH3+])O.CCCCCCCCCCCCCCCC[N+](C)(C)C(C)O.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)C(C)([NH3+])O.CCCCCCCCCCCCCCCC[N+](C)(C)C(C)O.[Br-].[Br-]

InChI

InChI=1S/C22H47NO.C20H44NO.2BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(3,23)24;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3,4)20(2)22;;/h21,24H,4-20,23H2,1-3H3;20,22H,5-19H2,1-4H3;2*1H/q;+1;;/p-1