2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-octyl-4-oxidanyl-1H-pyrimidin-6-one chloride

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-octyl-4-oxidanyl-1H-pyrimidin-6-one chloride Openeye Name: 4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-octyl-1H-pyrimidin-6-one chloride CAS Name: 4-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-5-octyl-1H-pyrimidin-6-one chloride IUPAC Name: 4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-octyl-1H-pyrimidin-6-one chloride Traditional Name: 4-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-5-octyl-1H-pyrimidin-6-one chloride Formula: C18H32ClN3O3S MolecularWeight: 405.98298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

CCCCCCCCC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C18H31N3O3S.ClH/c1-2-3-4-5-6-7-8-15-16(22)19-18(20-17(15)23)25-14-11-21-9-12-24-13-10-21;/h2-14H2,1H3,(H2,19,20,22,23);1H