1-tetradecyl-4-[4-(1-tetradecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide

Systemtic Name: 1-tetradecyl-4-[4-(1-tetradecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Openeye Name: 1-tetradecyl-4-[4-(1-tetradecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide CAS Name: 1-tetradecyl-4-[4-[(1-tetradecyl-4-pyridin-1-iumyl)thio]butylthio]pyridin-1-ium dibromide IUPAC Name: 1-tetradecyl-4-[4-(1-tetradecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Traditional Name: 1-myristyl-4-[4-[(1-myristylpyridin-1-ium-4-yl)thio]butylthio]pyridin-1-ium dibromide Formula: C42H74Br2N2S2 MolecularWeight: 830.98836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H74N2S2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-43-35-29-41(30-36-43)45-39-27-28-40-46-42-31-37-44(38-32-42)34-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h29-32,35-38H,3-28,33-34,39-40H2,1-2H3;2*1H/q+2;;/p-2