Chem
J-GLOBAL ID：200907064119266716   Nikkaji number：J427.747C

2-[[4-[(2-Pyridinyl)cyanomethylene]-2,5-cyclohexadien-1-ylidene]cyanomethyl]-1-methylpyridin-1-ium

2-[[4-[(2-ピリジニル)シアノメチレン]-2,5-シクロヘキサジエン-1-イリデン]シアノメチル]-1-メチルピリジン-1-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： C21H15N3[N+]
Molecular formula furigana： C21-H15-N4
Molecular weight： 323.378
InChI： InChI=1S/C21H15N4/c1-25-13-5-3-7-21(25)19(15-23)17-10-8-16(9-11-17)18(14-22)20-6-2-4-12-24-20/h2-13H,1H3/q+1/b18-16-,19-17+
InChI key： IRUSDPUSEOXFTM-JQNBNMKOSA-N
SMILES： C[n+]1ccccc1/C(=c\1/cc/c(=C(/C#N)\c2ccccn2)/cc1)/C#N
Systematic name  (3)：
  • 2-[[4-[(2-ピリジニル)シアノメチレン]-2,5-シクロヘキサジエン-1-イリデン]シアノメチル]-1-メチルピリジン-1-イウム
  • 2-{シアノ[(1E,4E)-4-[シアノ(ピリジン-2-イル)メチリデン]シクロヘキサ-2,5-ジエン-1-イリデン]メチル}-1-メチルピリジン-1-イウム
  • 2-{cyano[(1E,4E)-4-[cyano(pyridin-2-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl}-1-methylpyridin-1-ium
Other name (1)：
  • 2-[[4-[(2-Pyridinyl)cyanomethylene]-2,5-cyclohexadien-1-ylidene]cyanomethyl]-1-methylpyridin-1-ium
Thsaurus map：
Thesaurus Map

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