Chem
J-GLOBAL ID：200907053128482020   Nikkaji number：J2.668.306H

Rosa-Pyr

3-(1-アゾニアシクロペンタン-1-イリデン)-6-ピロリジノ-9-(2-メチルフェニル)-3H-キサンテン
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： C28H29N[N+]O
Molecular formula furigana： C28-H29-N2-O
Molecular weight： 409.552
InChI： InChI=1S/C28H29N2O/c1-20-8-2-3-9-23(20)28-24-12-10-21(29-14-4-5-15-29)18-26(24)31-27-19-22(11-13-25(27)28)30-16-6-7-17-30/h2-3,8-13,18-19H,4-7,14-17H2,1H3/q+1
InChI key： UTZDOYASYXLZFP-UHFFFAOYSA-N
SMILES： Cc1ccccc1c1c2ccc(cc2oc2cc(=[N+]3CCCC3)ccc12)N1CCCC1
Systematic name  (3)：
  • 3-(1-アゾニアシクロペンタン-1-イリデン)-6-ピロリジノ-9-(2-メチルフェニル)-3H-キサンテン
  • 1-[9-(2-メチルフェニル)-6-(ピロリジン-1-イル)-3H-キサンテン-3-イリデン]-1λ5-ピロリジン-1-イリウム
  • 1-[9-(2-methylphenyl)-6-(pyrrolidin-1-yl)-3H-xanthen-3-ylidene]-1λ5-pyrrolidin-1-ylium
Other name (2)：
  • 3-(1-Azoniacyclopentane-1-ylidene)-6-pyrrolizino-9-(2-methylphenyl)-3H-xanthene
  • Rosa-Pyr
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