Chem
J-GLOBAL ID：200907055731527325
Nikkaji number：J1.634.595D
1,3,3-Trimethyl-2-[2-[2-hydroxy-6-(acetylamino)-3-pyridyl]ethenyl]-5-(cyclopentadienide-1-ylethynyl)-3H-indole-1-ium
1,3,3-トリメチル-2-[2-[2-ヒドロキシ-6-(アセチルアミノ)-3-ピリジル]エテニル]-5-(シクロペンタジエニド-1-イルエチニル)-3H-インドール-1-イウム
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
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
Molecular formula： C27H24N2[N+]O2
Molecular formula furigana： C27-H24-N3-O2
Molecular weight： 422.507
InChI：
InChI=1S/C27H23N3O2/c1-18(31)28-25-16-13-21(26(32)29-25)12-15-24-27(2,3)22-17-20(11-14-23(22)30(24)4)10-9-19-7-5-6-8-19/h5-7,11-17H,1-4H3,(H,28,29,31,32)/p+1
InChI key：
KGTBOEDQIUHPDU-UHFFFAOYSA-O
SMILES：
CC(=O)Nc1ccc(C=CC2=[N+](C)c3ccc(cc3C2(C)C)C#CC2=C=CC=C2)c(O)n1
Systematic name (3)：
- 1,3,3-トリメチル-2-[2-[2-ヒドロキシ-6-(アセチルアミノ)-3-ピリジル]エテニル]-5-(シクロペンタジエニド-1-イルエチニル)-3H-インドール-1-イウム
- 5-[2-(シクロペンタ-1,2,4-トリエン-1-イル)エチニル]-2-[2-(6-アセトアミド-2-ヒドロキシピリジン-3-イル)エテニル]-1,3,3-トリメチル-3H-インドール-1-イウム
- 5-[2-(cyclopenta-1,2,4-trien-1-yl)ethynyl]-2-[2-(6-acetamido-2-hydroxypyridin-3-yl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium
- 1,3,3-Trimethyl-2-[2-[2-hydroxy-6-(acetylamino)-3-pyridyl]ethenyl]-5-(cyclopentadienide-1-ylethynyl)-3H-indole-1-ium
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