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

Systemtic Name: 2-[5,6-dibutyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone Openeye Name: 2-[5,6-dibutyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone CAS Name: 2-(5,6-dibutyl-3,4-dimercapto-1-methyl-2-pyridin-1-iumyl)ethenone IUPAC Name: 2-[5,6-dibutyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone Traditional Name: 2-(5,6-dibutyl-3,4-dimercapto-1-methyl-pyridin-1-ium-2-yl)ethenone Formula: C16H24NOS2+ MolecularWeight: 310.49786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NOS2/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/p+1