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

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

Systemtic Name:2-[(5-heptyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-azanium
Openeye Name:2-[(5-heptyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium
CAS Name:2-[(5-heptyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]ethyl-dimethylammonium
IUPAC Name:2-[(5-heptyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethylazanium
Traditional Name:2-[(5-heptyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium
Formula: C15H28N3O2S+
MolecularWeight: 314.46672
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H27N3O2S/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)/p+1


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