[2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)ethyl]phenyl] ethanoate chloride

Systemtic Name: [2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)ethyl]phenyl] ethanoate chloride Openeye Name: [2-acetoxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)ethyl]phenyl] acetate chloride CAS Name: acetic acid [2-acetyloxy-4-[2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]ethyl]phenyl] ester chloride IUPAC Name: [2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)ethyl]phenyl] acetate chloride Traditional Name: acetic acid [2-acetoxy-4-[2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]ethyl]phenyl] ester chloride Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC[N+]2=CNC(=CC2)SC)OC(=O)C.[Cl-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CC[N+]2=CNC(=CC2)SC)OC(=O)C.[Cl-]

InChI

InChI=1S/C17H20N2O4S.ClH/c1-12(20)22-15-5-4-14(10-16(15)23-13(2)21)6-8-19-9-7-17(24-3)18-11-19;/h4-5,7,10-11H,6,8-9H2,1-3H3;1H