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

Systemtic Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol Openeye Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol CAS Name: 10-[4-(1-octyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]-1-decanethiol IUPAC Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol Traditional Name: 10-[4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]decane-1-thiol Formula: C28H46N2S+2 MolecularWeight: 442.74324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N2S/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/q+1/p+1