(3-hexadecylsulfanyl-2-hexoxy-propyl)-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: (3-hexadecylsulfanyl-2-hexoxy-propyl)-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: (3-hexadecylsulfanyl-2-hexoxy-propyl)-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: [3-(hexadecylthio)-2-hexoxypropyl]-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: (3-hexadecylsulfanyl-2-hexoxypropyl)-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: [3-(cetylthio)-2-hexoxy-propyl]-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C29H62BrNO2S MolecularWeight: 568.77708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCO)OCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCO)OCCCCCC.[Br-]

InChI

InChI=1S/C29H62NO2S.BrH/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-26-33-28-29(27-30(3,4)23-24-31)32-25-21-10-8-6-2;/h29,31H,5-28H2,1-4H3;1H/q+1;/p-1