Chem
J-GLOBAL ID：200907003992138849   Nikkaji number：J1.004.459F

8-Phenyl-12-bromo-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium

8-フェニル-12-ブロモ-5,6-ジヒドロ-9,10-ジメトキシベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジニウム
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： C26H21Br[N+]O4
Molecular formula furigana： C26-H21-BR-N-O4
Molecular weight： 491.360
InChI： InChI=1S/C26H21BrNO4/c1-29-23-13-19(27)18-11-20-17-12-22-21(31-14-32-22)10-16(17)8-9-28(20)25(24(18)26(23)30-2)15-6-4-3-5-7-15/h3-7,10-13H,8-9,14H2,1-2H3/q+1
InChI key： MPGSIGJAMBLPLR-UHFFFAOYSA-N
SMILES： COc1cc(Br)c2cc3c4cc5OCOc5cc4CC[n+]3c(c3ccccc3)c2c1OC
Systematic name  (4)：
  • 8-フェニル-12-ブロモ-5,6-ジヒドロ-9,10-ジメトキシベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジニウム
  • 8-フェニル-9,10-ジメトキシ-12-ブロモ-5,6-ジヒドロベンゾ[g]-1,3-ベンゾジオキソロ[5,6-a]キノリジニウム
  • 19-ブロモ-16,17-ジメトキシ-14-フェニル-5,7-ジオキサ-13λ5-アザペンタシクロ[11.8.0.02,10.04,8.015,20]ヘンイコサ-1(21),2,4(8),9,13,15,17,19-オクタエン-13-イリウム
  • 19-bromo-16,17-dimethoxy-14-phenyl-5,7-dioxa-13λ5-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-13-ylium
Other name (2)：
  • 8-Phenyl-12-bromo-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
  • 8-Phenyl-9,10-dimethoxy-12-bromo-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
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