1-hexadecyl-4-[4-(1-hexadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide

Systemtic Name: 1-hexadecyl-4-[4-(1-hexadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Openeye Name: 1-hexadecyl-4-[4-(1-hexadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide CAS Name: 1-hexadecyl-4-[4-[(1-hexadecyl-4-pyridin-1-iumyl)thio]butylthio]pyridin-1-ium dibromide IUPAC Name: 1-hexadecyl-4-[4-(1-hexadecylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Traditional Name: 1-cetyl-4-[4-[(1-cetylpyridin-1-ium-4-yl)thio]butylthio]pyridin-1-ium dibromide Formula: C46H82Br2N2S2 MolecularWeight: 887.09468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H82N2S2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-47-39-33-45(34-40-47)49-43-31-32-44-50-46-35-41-48(42-36-46)38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h33-36,39-42H,3-32,37-38,43-44H2,1-2H3;2*1H/q+2;;/p-2