1-octadecyl-4-[4-(1-octadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide

Systemtic Name: 1-octadecyl-4-[4-(1-octadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Openeye Name: 1-octadecyl-4-[4-(1-octadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide CAS Name: 1-octadecyl-4-[4-[(1-octadecyl-4-pyridin-1-iumyl)thio]butylthio]pyridin-1-ium dibromide IUPAC Name: 1-octadecyl-4-[4-(1-octadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Traditional Name: 1-stearyl-4-[4-[(1-stearylpyridin-1-ium-4-yl)thio]butylthio]pyridin-1-ium dibromide Formula: C50H90Br2N2S2 MolecularWeight: 943.201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C50H90N2S2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-51-43-37-49(38-44-51)53-47-35-36-48-54-50-39-45-52(46-40-50)42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h37-40,43-46H,3-36,41-42,47-48H2,1-2H3;2*1H/q+2;;/p-2