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1-butylsulfanylethyl-diethyl-octadecyl-azanium bromide

1-butylsulfanylethyl-diethyl-octadecyl-azanium bromide

Systemtic Name:1-butylsulfanylethyl-diethyl-octadecyl-azanium bromide
Openeye Name:1-butylsulfanylethyl-diethyl-octadecyl-ammonium bromide
CAS Name:1-(butylthio)ethyl-diethyl-octadecylammonium bromide
IUPAC Name:1-butylsulfanylethyl-diethyl-octadecylazanium bromide
Traditional Name:1-(butylthio)ethyl-diethyl-stearyl-ammonium bromide
Formula: C28H60BrNS
MolecularWeight: 522.7517
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H60NS.BrH/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(8-3,9-4)28(5)30-27-11-7-2;/h28H,6-27H2,1-5H3;1H/q+1;/p-1


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