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

Systemtic Name: dimethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium Openeye Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)thio]ethyl-dimethylammonium IUPAC Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(5-amyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C13H24N3O2S+ MolecularWeight: 286.41356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O2S/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)/p+1