1-octadecyl-4-[3-(1-octadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium

Systemtic Name: 1-octadecyl-4-[3-(1-octadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium Openeye Name: 1-octadecyl-4-[3-(1-octadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium CAS Name: 1-octadecyl-4-[3-[(1-octadecyl-4-pyridin-1-iumyl)thio]propylthio]pyridin-1-ium IUPAC Name: 1-octadecyl-4-[3-(1-octadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium Traditional Name: 1-stearyl-4-[3-[(1-stearylpyridin-1-ium-4-yl)thio]propylthio]pyridin-1-ium Formula: C49H88N2S2+2 MolecularWeight: 769.36642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H88N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40-50-42-36-48(37-43-50)52-46-35-47-53-49-38-44-51(45-39-49)41-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35,40-41,46-47H2,1-2H3/q+2