MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

paraquat dichloride

	Properties	Image
MNX_ID	MNXM726935
reference	chebi:28786
formula	C₁₂H₁₄Cl₂N₂
global charge	0
mol weight	257.164
InChIKey	FIKAKWIAUPDISJ-UHFFFAOYSA-L
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
SMILES	C[N+]1=CC=C(C2=CC=[N+](C)C=C2)C=C1.[Cl-].[Cl-]

MNX internals

InChI (mnx)	InChI=1/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;;
SMILES (mnx)	[CH3:1][N+:13]1=[CH:8][CH:4]=[C:11]([C:12]2=[CH:6][CH:10]=[N+:14]([CH3:2])[CH:9]=[CH:5]2)[CH:3]=[CH:7]1.[ClH:15].[ClH:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28786 chebi:28786 FIKAKWIAUPDISJ-UHFFFAOYSA-L	paraquat dichloride 1,1'-Dimethyl-4,4'-bipyridinium dichloride 1,1'-Dimethyl-4,4'-dipyridylium dichloride 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium dichloride 4,4'-Dimethyldipyridyl dichloride Methyl viologen Methyl viologen dichloride N,N'-Dimethyl-4,4'-bipyridinium dichloride N,N'-Dimethyl-4,4'-bipyridylium dichloride Paraquat dichloride
seed.compound:cpd00194 seedM:cpd00194 sabiork.compound:5025 sabiorkM:5025 kegg.compound:C00225 keggC:C00225 FIKAKWIAUPDISJ-UHFFFAOYSA-L	Methyl viologen 1,1'-Dimethyl-4,4'-bipyridinium dichloride Paraquat dichloride
chebi:25856 chebi:6861 keggC:M_C00225 seedM:M_cpd00194	secondary/obsolete/fantasy identifier