2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(1-methyl-2-pyridin-1-iumyl)thio]-1-phenylethanone IUPAC Name: 2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(1-methylpyridin-1-ium-2-yl)thio]-1-phenyl-ethanone Formula: C14H14NOS+ MolecularWeight: 244.33206

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC(=O)C2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC=CC=C1SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14NOS/c1-15-10-6-5-9-14(15)17-11-13(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3/q+1