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1-(5-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one iodide

1-(5-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one iodide

Systemtic Name:1-(5-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one iodide
Openeye Name:1-(5-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one iodide
CAS Name:1-[5-methyl-2-(phenylthio)-1-pyridin-1-iumyl]-2-propanone iodide
IUPAC Name:1-(5-methyl-2-phenylsulfanylpyridin-1-ium-1-yl)propan-2-one iodide
Traditional Name:1-[5-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+](=C(C=C1)SC2=CC=CC=C2)CC(=O)C.[I-]


Isomeric SMILES

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


InChI

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


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