1-hexadecyl-4-[2-[(1-hexadecylpyridin-1-ium-4-yl)methylsulfanyl]ethylsulfanylmethyl]pyridin-1-ium dibromide

Systemtic Name: 1-hexadecyl-4-[2-[(1-hexadecylpyridin-1-ium-4-yl)methylsulfanyl]ethylsulfanylmethyl]pyridin-1-ium dibromide Openeye Name: 1-hexadecyl-4-[2-[(1-hexadecylpyridin-1-ium-4-yl)methylsulfanyl]ethylsulfanylmethyl]pyridin-1-ium dibromide CAS Name: 1-hexadecyl-4-[[2-[(1-hexadecyl-4-pyridin-1-iumyl)methylthio]ethylthio]methyl]pyridin-1-ium dibromide IUPAC Name: 1-hexadecyl-4-[2-[(1-hexadecylpyridin-1-ium-4-yl)methylsulfanyl]ethylsulfanylmethyl]pyridin-1-ium dibromide Traditional Name: 1-cetyl-4-[[2-[(1-cetylpyridin-1-ium-4-yl)methylthio]ethylthio]methyl]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)CSCCSCC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)CSCCSCC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[Br-].[Br-]

InChI

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