[4-acetyloxy-3-(5-morpholin-4-ium-4-ylpentylsulfanyl)phenyl] ethanoate chloride

Systemtic Name: [4-acetyloxy-3-(5-morpholin-4-ium-4-ylpentylsulfanyl)phenyl] ethanoate chloride Openeye Name: [4-acetoxy-3-(5-morpholin-4-ium-4-ylpentylsulfanyl)phenyl] acetate chloride CAS Name: acetic acid [4-acetyloxy-3-[5-(4-morpholin-4-iumyl)pentylthio]phenyl] ester chloride IUPAC Name: [4-acetyloxy-3-(5-morpholin-4-ium-4-ylpentylsulfanyl)phenyl] acetate chloride Traditional Name: acetic acid [4-acetoxy-3-(5-morpholin-4-ium-4-ylpentylthio)phenyl] ester chloride Formula: C19H28ClNO5S MolecularWeight: 417.94732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO5S.ClH/c1-15(21)24-17-6-7-18(25-16(2)22)19(14-17)26-13-5-3-4-8-20-9-11-23-12-10-20;/h6-7,14H,3-5,8-13H2,1-2H3;1H