1-[1-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-3-yl]ethanone

Systemtic Name: 1-[1-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[[4-(methylthio)phenyl]methyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[(4-methylsulfanylphenyl)methyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-[1-[4-(methylthio)benzyl]pyridin-1-ium-3-yl]ethanone Formula: C15H16NOS+ MolecularWeight: 258.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)SC

InChI

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