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

Systemtic Name: 1-(2-hexadecylsulfanylethyl)pyridin-1-ium bromide Openeye Name: 1-(2-hexadecylsulfanylethyl)pyridin-1-ium bromide CAS Name: 1-[2-(hexadecylthio)ethyl]pyridin-1-ium bromide IUPAC Name: 1-(2-hexadecylsulfanylethyl)pyridin-1-ium bromide Traditional Name: 1-[2-(cetylthio)ethyl]pyridin-1-ium bromide Formula: C23H42BrNS MolecularWeight: 444.55528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC[N+]1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC[N+]1=CC=CC=C1.[Br-]

InChI

InChI=1S/C23H42NS.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-25-23-21-24-19-16-15-17-20-24;/h15-17,19-20H,2-14,18,21-23H2,1H3;1H/q+1;/p-1