Chem
J-GLOBAL ID:200907050540135700   Nikkaji number:J2.454.093F

1,1′-(2,6-Pyridinediylbismethylene)bis(3-propyl-1H-benzoimidazole-3-ium)

1,1′-(2,6-ピリジンジイルビスメチレン)ビス(3-プロピル-1H-ベンゾイミダゾール-3-イウム)
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: C27H31N3[N+]2
Molecular formula furigana: C27-H31-N5
Molecular weight: 425.579
InChI: InChI=1S/C27H31N5/c1-3-16-29-20-31(26-14-7-5-12-24(26)29)18-22-10-9-11-23(28-22)19-32-21-30(17-4-2)25-13-6-8-15-27(25)32/h5-15,20-21H,3-4,16-19H2,1-2H3/q+2
InChI key: CNOJRLWNOXAKLN-UHFFFAOYSA-N
SMILES: CCC[n+]1cn(Cc2cccc(Cn3c[n+](CCC)c4ccccc34)n2)c2ccccc12
Systematic name  (3):
  • 1,1′-(2,6-ピリジンジイルビスメチレン)ビス(3-プロピル-1H-ベンゾイミダゾール-3-イウム)
  • 3-プロピル-1-({6-[(3-プロピル-1H-1,3-ベンゾジアゾール-3-イウム-1-イル)メチル]ピリジン-2-イル}メチル)-1H-1,3-ベンゾジアゾール-3-イウム
  • 3-propyl-1-({6-[(3-propyl-1H-1,3-benzodiazol-3-ium-1-yl)methyl]pyridin-2-yl}methyl)-1H-1,3-benzodiazol-3-ium
Other name (1):
  • 1,1′-(2,6-Pyridinediylbismethylene)bis(3-propyl-1H-benzoimidazole-3-ium)
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