Chem
J-GLOBAL ID：200907089390115025   Nikkaji number：J1.431.488A

2-(3,4-Dihydroxyphenyl)-3-[3-(trimethylaminio)propoxy]-4H-1-benzopyran-4-one

2-(3,4-ジヒドロキシフェニル)-3-[3-(トリメチルアミニオ)プロポキシ]-4H-1-ベンゾピラン-4-オン
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： C21H24[N+]O5
Molecular formula furigana： C21-H24-N-O5
Molecular weight： 370.424
InChI： InChI=1S/C21H23NO5/c1-22(2,3)11-6-12-26-21-19(25)15-7-4-5-8-18(15)27-20(21)14-9-10-16(23)17(24)13-14/h4-5,7-10,13H,6,11-12H2,1-3H3,(H-,23,24,25)/p+1
InChI key： KBTKFQDPQFKMCF-UHFFFAOYSA-O
SMILES： C[N+](C)(C)CCCOc1c(oc2ccccc2c1=O)c1ccc(O)c(O)c1
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)-3-[3-(トリメチルアミニオ)プロポキシ]-4H-1-ベンゾピラン-4-オン
  • (3-{[2-(3,4-ジヒドロキシフェニル)-4-オキソ-4H-クロメン-3-イル]オキシ}プロピル)トリメチルアザニウム
  • (3-{[2-(3,4-dihydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}propyl)trimethylazanium
Other name (1)：
  • 2-(3,4-Dihydroxyphenyl)-3-[3-(trimethylaminio)propoxy]-4H-1-benzopyran-4-one
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