Chem
J-GLOBAL ID：200907087671150226   Nikkaji number：J661.017J

[(1-Methyl-4H-1,2,4-triazol-1-ium)-4-yl][4-(dimethoxymethyl)benzoyl]amine anion

4-{[4-(ジメトキシメチル)ベンゾイル]アザニジル}-1-メチル-4H-1,2,4-トリアゾール-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： C13H16N2[N-][N+]O3
Molecular formula furigana： C13-H16-N4-O3
Molecular weight： 276.296
InChI： InChI=1S/C13H16N4O3/c1-16-9-17(8-14-16)15-12(18)10-4-6-11(7-5-10)13(19-2)20-3/h4-9,13H,1-3H3
InChI key： VMHNUOKWAPPDBF-UHFFFAOYSA-N
SMILES： COC(OC)c1ccc(cc1)C(=O)[N-]n1cn[n+](C)c1
Systematic name  (3)：
  • [(1-メチル-4H-1,2,4-トリアゾール-1-イウム)-4-イル][4-(ジメトキシメチル)ベンゾイル]アミンアニオン
  • 4-{[4-(ジメトキシメチル)ベンゾイル]アザニジル}-1-メチル-4H-1,2,4-トリアゾール-1-イウム
  • 4-{[4-(dimethoxymethyl)benzoyl]azanidyl}-1-methyl-4H-1,2,4-triazol-1-ium
Other name (1)：
  • [(1-Methyl-4H-1,2,4-triazol-1-ium)-4-yl][4-(dimethoxymethyl)benzoyl]amine anion
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