methyl 1-methyl-6-(phenylmethylsulfanyl)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-methyl-6-(phenylmethylsulfanyl)pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-benzylsulfanyl-1-methyl-pyridin-1-ium-3-carboxylate CAS Name: 1-methyl-6-(phenylmethylthio)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-benzylsulfanyl-1-methylpyridin-1-ium-3-carboxylate Traditional Name: 6-(benzylthio)-1-methyl-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C15H16NO2S+ MolecularWeight: 274.35804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C(=O)OC)SCC2=CC=CC=C2

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C(=O)OC)SCC2=CC=CC=C2

InChI

InChI=1S/C15H16NO2S/c1-16-10-13(15(17)18-2)8-9-14(16)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/q+1