1-[2-(2-methylphenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one

Systemtic Name: 1-[2-(2-methylphenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one Openeye Name: 1-[2-(o-tolylsulfanyl)pyridin-1-ium-1-yl]propan-2-one CAS Name: 1-[2-[(2-methylphenyl)thio]-1-pyridin-1-iumyl]-2-propanone IUPAC Name: 1-[2-(2-methylphenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one Traditional Name: 1-[2-(o-tolylthio)pyridin-1-ium-1-yl]acetone Formula: C15H16NOS+ MolecularWeight: 258.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=CC=CC=[N+]2CC(=O)C

Isomeric SMILES

CC1=CC=CC=C1SC2=CC=CC=[N+]2CC(=O)C

InChI

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