2-(4-methylphenyl)sulfanylethyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: 2-(4-methylphenyl)sulfanylethyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: 2-(p-tolylsulfanyl)ethyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid 2-[(4-methylphenyl)thio]ethyl ester IUPAC Name: 2-(4-methylphenyl)sulfanylethyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid 2-(p-tolylthio)ethyl ester Formula: C15H17N2O2S+ MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C15H16N2O2S/c1-11-4-6-12(7-5-11)20-10-9-19-15(18)13-3-2-8-17-14(13)16/h2-8H,9-10H2,1H3,(H2,16,17)/p+1