1-hexadecylsulfanylpropan-2-yl-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: 1-hexadecylsulfanylpropan-2-yl-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: (2-hexadecylsulfanyl-1-methyl-ethyl)-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: 1-(hexadecylthio)propan-2-yl-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: 1-hexadecylsulfanylpropan-2-yl-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: [2-(cetylthio)-1-methyl-ethyl]-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C23H50BrNOS MolecularWeight: 468.6182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H50NOS.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-22-23(2)24(3,4)19-20-25;/h23,25H,5-22H2,1-4H3;1H/q+1;/p-1