Chem
J-GLOBAL ID:200907049097873541   Nikkaji number:J657.508K

1-(3-Carboxypropyl)-3-phenyl-4,5-methylenedioxy-6-aminopyridazi-1-ium

1-(3-カルボキシプロピル)-3-フェニル-4,5-メチレンジオキシ-6-アミノピリダジ-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: C15H16N2[N+]O4
Molecular formula furigana: C15-H16-N3-O4
Molecular weight: 302.309
InChI: InChI=1S/C15H15N3O4/c16-15-14-13(21-9-22-14)12(10-5-2-1-3-6-10)17-18(15)8-4-7-11(19)20/h1-3,5-6,16H,4,7-9H2,(H,19,20)/p+1
InChI key: IFNNKEMYNRTBGB-UHFFFAOYSA-O
SMILES: Nc1c2OCOc2c(n[n+]1CCCC(=O)O)c1ccccc1
Systematic name  (3):
  • 1-(3-カルボキシプロピル)-3-フェニル-4,5-メチレンジオキシ-6-アミノピリダジ-1-イウム
  • 4-アミノ-5-(3-カルボキシプロピル)-7-フェニル-2H-[1,3]ジオキソロ[4,5-d]ピリダジン-5-イウム
  • 4-amino-5-(3-carboxypropyl)-7-phenyl-2H-[1,3]dioxolo[4,5-d]pyridazin-5-ium
Other name (1):
  • 1-(3-Carboxypropyl)-3-phenyl-4,5-methylenedioxy-6-aminopyridazi-1-ium
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