dimethyl-[2-(6-oxidanyl-4-oxidanylidene-5-pentyl-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium chloride

Systemtic Name: dimethyl-[2-(6-oxidanyl-4-oxidanylidene-5-pentyl-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium chloride Openeye Name: 2-(6-hydroxy-4-oxo-5-pentyl-1-phenyl-pyrimidin-2-yl)sulfanylethyl-dimethyl-ammonium chloride CAS Name: 2-[(6-hydroxy-4-oxo-5-pentyl-1-phenyl-2-pyrimidinyl)thio]ethyl-dimethylammonium chloride IUPAC Name: 2-(6-hydroxy-4-oxo-5-pentyl-1-phenylpyrimidin-2-yl)sulfanylethyl-dimethylazanium chloride Traditional Name: 2-[(5-amyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium chloride Formula: C19H28ClN3O2S MolecularWeight: 397.96252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](C)C)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](C)C)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C19H27N3O2S.ClH/c1-4-5-7-12-16-17(23)20-19(25-14-13-21(2)3)22(18(16)24)15-10-8-6-9-11-15;/h6,8-11,24H,4-5,7,12-14H2,1-3H3;1H