ethyl 2-(4-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate iodide

Systemtic Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate iodide Openeye Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate iodide CAS Name: 2-(4-methyl-1-pyridin-1-iumyl)-3,3-bis(methylthio)-2-propenoic acid ethyl ester iodide IUPAC Name: ethyl 2-(4-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)prop-2-enoate iodide Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)-3,3-bis(methylthio)acrylic acid ethyl ester iodide Formula: C13H18INO2S2 MolecularWeight: 411.32199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SC)SC)[N+]1=CC=C(C=C1)C.[I-]

Isomeric SMILES

CCOC(=O)C(=C(SC)SC)[N+]1=CC=C(C=C1)C.[I-]

InChI

InChI=1S/C13H18NO2S2.HI/c1-5-16-12(15)11(13(17-3)18-4)14-8-6-10(2)7-9-14;/h6-9H,5H2,1-4H3;1H/q+1;/p-1