dimethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium chloride

Systemtic Name: dimethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium chloride Openeye Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium chloride CAS Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)thio]ethyl-dimethylammonium chloride IUPAC Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethylazanium chloride Traditional Name: 2-[(5-amyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium chloride Formula: C13H24ClN3O2S MolecularWeight: 321.86656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C13H23N3O2S.ClH/c1-4-5-6-7-10-11(17)14-13(15-12(10)18)19-9-8-16(2)3;/h4-9H2,1-3H3,(H2,14,15,17,18);1H