(2-ethoxy-3-hexadecylsulfanyl-propyl)-dimethyl-(3-oxidanylpropyl)azanium bromide

Systemtic Name: (2-ethoxy-3-hexadecylsulfanyl-propyl)-dimethyl-(3-oxidanylpropyl)azanium bromide Openeye Name: (2-ethoxy-3-hexadecylsulfanyl-propyl)-(3-hydroxypropyl)-dimethyl-ammonium bromide CAS Name: [2-ethoxy-3-(hexadecylthio)propyl]-(3-hydroxypropyl)-dimethylammonium bromide IUPAC Name: (2-ethoxy-3-hexadecylsulfanylpropyl)-(3-hydroxypropyl)-dimethylazanium bromide Traditional Name: [3-(cetylthio)-2-ethoxy-propyl]-(3-hydroxypropyl)-dimethyl-ammonium bromide Formula: C26H56BrNO2S MolecularWeight: 526.69734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCCO)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCCO)OCC.[Br-]

InChI

InChI=1S/C26H56NO2S.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-25-26(29-6-2)24-27(3,4)21-20-22-28;/h26,28H,5-25H2,1-4H3;1H/q+1;/p-1