5-hexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one chloride

Systemtic Name: 5-hexyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one chloride Openeye Name: 5-hexyl-6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenyl-pyrimidin-4-one chloride CAS Name: 5-hexyl-6-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-1-phenyl-4-pyrimidinone chloride IUPAC Name: 5-hexyl-6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenylpyrimidin-4-one chloride Traditional Name: 5-hexyl-6-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-1-phenyl-pyrimidin-4-one chloride Formula: C22H32ClN3O3S MolecularWeight: 454.02578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H31N3O3S.ClH/c1-2-3-4-8-11-19-20(26)23-22(29-17-14-24-12-15-28-16-13-24)25(21(19)27)18-9-6-5-7-10-18;/h5-7,9-10,27H,2-4,8,11-17H2,1H3;1H