1-[4-methyl-2-(2-methylphenyl)sulfanyl-pyridin-1-ium-1-yl]propan-2-one iodide

Systemtic Name: 1-[4-methyl-2-(2-methylphenyl)sulfanyl-pyridin-1-ium-1-yl]propan-2-one iodide Openeye Name: 1-[4-methyl-2-(o-tolylsulfanyl)pyridin-1-ium-1-yl]propan-2-one iodide CAS Name: 1-[4-methyl-2-[(2-methylphenyl)thio]-1-pyridin-1-iumyl]-2-propanone iodide IUPAC Name: 1-[4-methyl-2-(2-methylphenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide Traditional Name: 1-[4-methyl-2-(o-tolylthio)pyridin-1-ium-1-yl]acetone iodide Formula: C16H18INOS MolecularWeight: 399.28969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)CC(=O)C)SC2=CC=CC=C2C.[I-]

Isomeric SMILES

CC1=CC(=[N+](C=C1)CC(=O)C)SC2=CC=CC=C2C.[I-]

InChI

InChI=1S/C16H18NOS.HI/c1-12-8-9-17(11-14(3)18)16(10-12)19-15-7-5-4-6-13(15)2;/h4-10H,11H2,1-3H3;1H/q+1;/p-1