[2-acetyloxy-4-[(4-methylsulfanylpyridin-1-ium-1-yl)methyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[(4-methylsulfanylpyridin-1-ium-1-yl)methyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[(4-methylsulfanylpyridin-1-ium-1-yl)methyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[[4-(methylthio)-1-pyridin-1-iumyl]methyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[(4-methylsulfanylpyridin-1-ium-1-yl)methyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[[4-(methylthio)pyridin-1-ium-1-yl]methyl]phenyl] ester Formula: C17H18NO4S+ MolecularWeight: 332.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C[N+]2=CC=C(C=C2)SC)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[N+]2=CC=C(C=C2)SC)OC(=O)C

InChI

InChI=1S/C17H18NO4S/c1-12(19)21-16-5-4-14(10-17(16)22-13(2)20)11-18-8-6-15(23-3)7-9-18/h4-10H,11H2,1-3H3/q+1