1-butylsulfanylethyl-dimethyl-octadecyl-azanium bromide

Systemtic Name: 1-butylsulfanylethyl-dimethyl-octadecyl-azanium bromide Openeye Name: 1-butylsulfanylethyl-dimethyl-octadecyl-ammonium bromide CAS Name: 1-(butylthio)ethyl-dimethyl-octadecylammonium bromide IUPAC Name: 1-butylsulfanylethyl-dimethyl-octadecylazanium bromide Traditional Name: 1-(butylthio)ethyl-dimethyl-stearyl-ammonium bromide Formula: C26H56BrNS MolecularWeight: 494.69854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)SCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)SCCCC.[Br-]

InChI

InChI=1S/C26H56NS.BrH/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(4,5)26(3)28-25-9-7-2;/h26H,6-25H2,1-5H3;1H/q+1;/p-1