2-[5,6-dihexyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide

Systemtic Name: 2-[5,6-dihexyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide Openeye Name: 2-[5,6-dihexyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide CAS Name: 2-(5,6-dihexyl-3,4-dimercapto-1-methyl-2-pyridin-1-iumyl)ethenone iodide IUPAC Name: 2-[5,6-dihexyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide Traditional Name: 2-(5,6-dihexyl-3,4-dimercapto-1-methyl-pyridin-1-ium-2-yl)ethenone iodide Formula: C20H32INOS2 MolecularWeight: 493.50865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C([N+](=C1CCCCCC)C)C=C=O)S)S.[I-]

Isomeric SMILES

CCCCCCC1=C(C(=C([N+](=C1CCCCCC)C)C=C=O)S)S.[I-]

InChI

InChI=1S/C20H31NOS2.HI/c1-4-6-8-10-12-16-17(13-11-9-7-5-2)21(3)18(14-15-22)20(24)19(16)23;/h14,24H,4-13H2,1-3H3;1H