1-(3-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one iodide

Systemtic Name: 1-(3-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one iodide Openeye Name: 1-(3-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one iodide CAS Name: 1-[3-methyl-2-(phenylthio)-1-pyridin-1-iumyl]-2-propanone iodide IUPAC Name: 1-(3-methyl-2-phenylsulfanylpyridin-1-ium-1-yl)propan-2-one iodide Traditional Name: 1-[3-methyl-2-(phenylthio)pyridin-1-ium-1-yl]acetone iodide Formula: C15H16INOS MolecularWeight: 385.26311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)C)SC2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)C)SC2=CC=CC=C2.[I-]

InChI

InChI=1S/C15H16NOS.HI/c1-12-7-6-10-16(11-13(2)17)15(12)18-14-8-4-3-5-9-14;/h3-10H,11H2,1-2H3;1H/q+1;/p-1