paraquat   

GtoPdb Ligand ID: 4552

Synonyms: 1,1'-dimethyl-4,4' bipyridinium dichloride
Compound class: Synthetic organic
Comment: The chemical structure shown here, and in the table links above, represent paraquat dichloride. The parent molecule has PubChem CID 15939.
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]
Isomeric SMILES C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]
InChI InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
InChI Key FIKAKWIAUPDISJ-UHFFFAOYSA-L
Classification
Compound class Synthetic organic
IUPAC Name
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride
Synonyms
1,1'-dimethyl-4,4' bipyridinium dichloride
Database Links
CAS Registry No. 1910-42-5 (source: Scifinder)
ChEMBL Ligand CHEMBL458019
GtoPdb PubChem SID 178101273
PubChem CID 15938
Search Google for chemical match using the InChIKey FIKAKWIAUPDISJ-UHFFFAOYSA-L
Search Google for chemicals with the same backbone FIKAKWIAUPDISJ
Search UniChem for chemical match using the InChIKey FIKAKWIAUPDISJ-UHFFFAOYSA-L
Search UniChem for chemicals with the same backbone FIKAKWIAUPDISJ
Wikipedia Paraquat