1-(4-methylsulfanylpyridin-1-ium-1-yl)propan-2-one

Systemtic Name: 1-(4-methylsulfanylpyridin-1-ium-1-yl)propan-2-one Openeye Name: 1-(4-methylsulfanylpyridin-1-ium-1-yl)propan-2-one CAS Name: 1-[4-(methylthio)-1-pyridin-1-iumyl]-2-propanone IUPAC Name: 1-(4-methylsulfanylpyridin-1-ium-1-yl)propan-2-one Traditional Name: 1-[4-(methylthio)pyridin-1-ium-1-yl]acetone Formula: C9H12NOS+ MolecularWeight: 182.26268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=C(C=C1)SC

Isomeric SMILES

CC(=O)C[N+]1=CC=C(C=C1)SC

InChI

InChI=1S/C9H12NOS/c1-8(11)7-10-5-3-9(12-2)4-6-10/h3-6H,7H2,1-2H3/q+1