[4-acetyloxy-3-(4-morpholin-4-ium-4-ylbutylsulfanyl)phenyl] ethanoate chloride

Systemtic Name: [4-acetyloxy-3-(4-morpholin-4-ium-4-ylbutylsulfanyl)phenyl] ethanoate chloride Openeye Name: [4-acetoxy-3-(4-morpholin-4-ium-4-ylbutylsulfanyl)phenyl] acetate chloride CAS Name: acetic acid [4-acetyloxy-3-[4-(4-morpholin-4-iumyl)butylthio]phenyl] ester chloride IUPAC Name: [4-acetyloxy-3-(4-morpholin-4-ium-4-ylbutylsulfanyl)phenyl] acetate chloride Traditional Name: acetic acid [4-acetoxy-3-(4-morpholin-4-ium-4-ylbutylthio)phenyl] ester chloride Formula: C18H26ClNO5S MolecularWeight: 403.92074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)OC(=O)C)SCCCC[NH+]2CCOCC2.[Cl-]

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)OC(=O)C)SCCCC[NH+]2CCOCC2.[Cl-]

InChI

InChI=1S/C18H25NO5S.ClH/c1-14(20)23-16-5-6-17(24-15(2)21)18(13-16)25-12-4-3-7-19-8-10-22-11-9-19;/h5-6,13H,3-4,7-12H2,1-2H3;1H