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

Systemtic Name: [2-acetyloxy-4-[(4-methylsulfanylpyridin-1-ium-1-yl)methyl]phenyl] ethanoate chloride Openeye Name: [2-acetoxy-4-[(4-methylsulfanylpyridin-1-ium-1-yl)methyl]phenyl] acetate chloride CAS Name: acetic acid [2-acetyloxy-4-[[4-(methylthio)-1-pyridin-1-iumyl]methyl]phenyl] ester chloride IUPAC Name: [2-acetyloxy-4-[(4-methylsulfanylpyridin-1-ium-1-yl)methyl]phenyl] acetate chloride Traditional Name: acetic acid [2-acetoxy-4-[[4-(methylthio)pyridin-1-ium-1-yl]methyl]phenyl] ester chloride Formula: C17H18ClNO4S MolecularWeight: 367.84712

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18NO4S.ClH/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;1H/q+1;/p-1