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

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

Systemtic Name:2-[(5-heptyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-azanium chloride
Openeye Name:2-[(5-heptyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium chloride
CAS Name:2-[(5-heptyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]ethyl-dimethylammonium chloride
IUPAC Name:2-[(5-heptyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethylazanium chloride
Traditional Name:2-[(5-heptyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium chloride
Formula: C15H28ClN3O2S
MolecularWeight: 349.91972
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O.[Cl-]


Isomeric SMILES

CCCCCCCC1=C(N=C(NC1=O)SCC[NH+](C)C)O.[Cl-]


InChI

InChI=1S/C15H27N3O2S.ClH/c1-4-5-6-7-8-9-12-13(19)16-15(17-14(12)20)21-11-10-18(2)3;/h4-11H2,1-3H3,(H2,16,17,19,20);1H


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