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

Systemtic Name: 2-[5,6-dibutyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide Openeye Name: 2-[5,6-dibutyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide CAS Name: 2-(5,6-dibutyl-3,4-dimercapto-1-methyl-2-pyridin-1-iumyl)ethenone iodide IUPAC Name: 2-[5,6-dibutyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide Traditional Name: 2-(5,6-dibutyl-3,4-dimercapto-1-methyl-pyridin-1-ium-2-yl)ethenone iodide Formula: C16H24INOS2 MolecularWeight: 437.40233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C([N+](=C1CCCC)C)C=C=O)S)S.[I-]

Isomeric SMILES

CCCCC1=C(C(=C([N+](=C1CCCC)C)C=C=O)S)S.[I-]

InChI

InChI=1S/C16H23NOS2.HI/c1-4-6-8-12-13(9-7-5-2)17(3)14(10-11-18)16(20)15(12)19;/h10,20H,4-9H2,1-3H3;1H