1-(2-hexadecylsulfanylpropyl)pyridin-1-ium bromide

Systemtic Name: 1-(2-hexadecylsulfanylpropyl)pyridin-1-ium bromide Openeye Name: 1-(2-hexadecylsulfanylpropyl)pyridin-1-ium bromide CAS Name: 1-[2-(hexadecylthio)propyl]pyridin-1-ium bromide IUPAC Name: 1-(2-hexadecylsulfanylpropyl)pyridin-1-ium bromide Traditional Name: 1-[2-(cetylthio)propyl]pyridin-1-ium bromide Formula: C24H44BrNS MolecularWeight: 458.58186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C)C[N+]1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C)C[N+]1=CC=CC=C1.[Br-]

InChI

InChI=1S/C24H44NS.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26-24(2)23-25-20-17-16-18-21-25;/h16-18,20-21,24H,3-15,19,22-23H2,1-2H3;1H/q+1;/p-1