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

Systemtic Name: (3-hexadecylsulfanyl-2-methoxy-propyl)-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: (3-hexadecylsulfanyl-2-methoxy-propyl)-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: [3-(hexadecylthio)-2-methoxypropyl]-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: (3-hexadecylsulfanyl-2-methoxypropyl)-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: [3-(cetylthio)-2-methoxy-propyl]-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C24H52BrNO2S MolecularWeight: 498.64418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H52NO2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23-24(27-4)22-25(2,3)19-20-26;/h24,26H,5-23H2,1-4H3;1H/q+1;/p-1