1-methyl-2-[5-(1-methylpyridin-1-ium-2-yl)sulfanylpentylsulfanyl]pyridin-1-ium

Systemtic Name: 1-methyl-2-[5-(1-methylpyridin-1-ium-2-yl)sulfanylpentylsulfanyl]pyridin-1-ium Openeye Name: 1-methyl-2-[5-(1-methylpyridin-1-ium-2-yl)sulfanylpentylsulfanyl]pyridin-1-ium CAS Name: 1-methyl-2-[5-[(1-methyl-2-pyridin-1-iumyl)thio]pentylthio]pyridin-1-ium IUPAC Name: 1-methyl-2-[5-(1-methylpyridin-1-ium-2-yl)sulfanylpentylsulfanyl]pyridin-1-ium Traditional Name: 1-methyl-2-[5-[(1-methylpyridin-1-ium-2-yl)thio]pentylthio]pyridin-1-ium Formula: C17H24N2S2+2 MolecularWeight: 320.51586

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCCCCCSC2=CC=CC=[N+]2C

Isomeric SMILES

C[N+]1=CC=CC=C1SCCCCCSC2=CC=CC=[N+]2C

InChI

InChI=1S/C17H24N2S2/c1-18-12-6-4-10-16(18)20-14-8-3-9-15-21-17-11-5-7-13-19(17)2/h4-7,10-13H,3,8-9,14-15H2,1-2H3/q+2