[2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]-dimethyl-(3-oxidanylpropyl)azanium bromide

Systemtic Name: [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]-dimethyl-(3-oxidanylpropyl)azanium bromide Openeye Name: [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]-(3-hydroxypropyl)-dimethyl-ammonium bromide CAS Name: [2-[(hexadecylthio)methyl]-3-methoxypropyl]-(3-hydroxypropyl)-dimethylammonium bromide IUPAC Name: [2-(hexadecylsulfanylmethyl)-3-methoxypropyl]-(3-hydroxypropyl)-dimethylazanium bromide Traditional Name: [2-[(cetylthio)methyl]-3-methoxy-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)COC.[Br-]

Isomeric SMILES

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

InChI

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