10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol dibromide

Systemtic Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol dibromide Openeye Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol dibromide CAS Name: 10-[4-(1-octyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]-1-decanethiol dibromide IUPAC Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol dibromide Traditional Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol dibromide Formula: C28H46Br2N2S MolecularWeight: 602.55124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCS.[Br-].[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCS.[Br-].[Br-]

InChI

InChI=1S/C28H45N2S.2BrH/c1-2-3-4-5-10-13-20-29-22-16-27(17-23-29)28-18-24-30(25-19-28)21-14-11-8-6-7-9-12-15-26-31;;/h16-19,22-25H,2-15,20-21,26H2,1H3;2*1H/q+1;;/p-1