Chem
J-GLOBAL ID：201407063026725684   Nikkaji number：J3.317.040H

4,4′-(1,4-Phenylenebisethynylene)bis(1-methylpyridinium)

4,4′-(1,4-フェニレンビスエチニレン)ビス(1-メチルピリジニウム)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H18[N+]2
Molecular formula furigana： C22-H18-N2
Molecular weight： 310.399
InChI： InChI=1S/C22H18N2/c1-23-15-11-21(12-16-23)9-7-19-3-5-20(6-4-19)8-10-22-13-17-24(2)18-14-22/h3-6,11-18H,1-2H3/q+2
InChI key： IUADFFJLAJLOBQ-UHFFFAOYSA-N
SMILES： C[n+]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc[n+](C)cc1
Systematic name  (4)：
  • 4,4′-(1,4-フェニレンビスエチニレン)ビス(1-メチルピリジニウム)
  • 4,4′-[4,1-フェニレンジ(2,1-エチンジイル)]ビス(1-メチルピリジニウム)
  • 1-メチル-4-(2-{4-[2-(1-メチルピリジン-1-イウム-4-イル)エチニル]フェニル}エチニル)ピリジン-1-イウム
  • 1-methyl-4-(2-{4-[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl}ethynyl)pyridin-1-ium
Other name (2)：
  • 4,4′-(1,4-Phenylenebisethynylene)bis(1-methylpyridinium)
  • 4,4′-[4,1-Phenylenedi(2,1-ethynediyl)]bis(1-methylpyridinium)
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