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Concept information

... > chemical entity > molecular entity > ion > cation > organic cation > pyridinium ion > 2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3h-thiazole-5-carboxaldehyde
... > chemical entity > molecular entity > ion > organic ion > organic cation > pyridinium ion > 2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3h-thiazole-5-carboxaldehyde

Preferred term

2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3h-thiazole-5-carboxaldehyde  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C12H13N2O2S

inchi

  • InChI=1S/C12H12N2O2S/c1-8(2)9-3-5-14(6-4-9)11-10(7-15)17-12(16)13-11/h3-8H,1-2H3/p+1

inchikey

  • BDXWHICFUGOXGI-UHFFFAOYSA-O

mass

  • 249.310

monoisotopicmass

  • 249.06923

smiles

  • CC(C)C1=CC=[N+](C=C1)C2=C(SC(=O)N2)C=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123179

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