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

Systemtic Name: 2-[(5-octyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium chloride Openeye Name: 2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-ammonium chloride CAS Name: 2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)thio]ethyl-dipropylammonium chloride IUPAC Name: 2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropylazanium chloride Traditional Name: 2-[(4-hydroxy-6-keto-5-octyl-1H-pyrimidin-2-yl)thio]ethyl-dipropyl-ammonium chloride Formula: C20H38ClN3O2S MolecularWeight: 420.05262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37N3O2S.ClH/c1-4-7-8-9-10-11-12-17-18(24)21-20(22-19(17)25)26-16-15-23(13-5-2)14-6-3;/h4-16H2,1-3H3,(H2,21,22,24,25);1H