1-hexadecyl-4-[2-[2-(1-hexadecylpyridin-1-ium-4-yl)ethyldisulfanyl]ethyl]pyridin-1-ium dibromide

Systemtic Name: 1-hexadecyl-4-[2-[2-(1-hexadecylpyridin-1-ium-4-yl)ethyldisulfanyl]ethyl]pyridin-1-ium dibromide Openeye Name: 1-hexadecyl-4-[2-[2-(1-hexadecylpyridin-1-ium-4-yl)ethyldisulfanyl]ethyl]pyridin-1-ium dibromide CAS Name: 1-hexadecyl-4-[2-[2-(1-hexadecyl-4-pyridin-1-iumyl)ethyldisulfanyl]ethyl]pyridin-1-ium dibromide IUPAC Name: 1-hexadecyl-4-[2-[2-(1-hexadecylpyridin-1-ium-4-yl)ethyldisulfanyl]ethyl]pyridin-1-ium dibromide Traditional Name: 1-cetyl-4-[2-[2-(1-cetylpyridin-1-ium-4-yl)ethyldisulfanyl]ethyl]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)CCSSCCC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)CCSSCCC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C46H82N2S2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-47-39-31-45(32-40-47)35-43-49-50-44-36-46-33-41-48(42-34-46)38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h31-34,39-42H,3-30,35-38,43-44H2,1-2H3;2*1H/q+2;;/p-2