Chem
J-GLOBAL ID：201407090324672914   Nikkaji number：J3.300.316A

13-(4,4-Diphenylbutyl)-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium

13-(4,4-ジフェニルブチル)-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： C36H34[N+]O4
Molecular formula furigana： C36-H34-N-O4
Molecular weight： 544.670
InChI： InChI=1S/C36H34NO4/c1-38-32-17-16-28-29(15-9-14-27(24-10-5-3-6-11-24)25-12-7-4-8-13-25)35-30-21-34-33(40-23-41-34)20-26(30)18-19-37(35)22-31(28)36(32)39-2/h3-8,10-13,16-17,20-22,27H,9,14-15,18-19,23H2,1-2H3/q+1
InChI key： GTWMZDSMZWCFBR-UHFFFAOYSA-N
SMILES： COc1ccc2c(CCCC(c3ccccc3)c3ccccc3)c3c4cc5OCOc5cc4CC[n+]3cc2c1OC
Systematic name  (4)：
  • 13-(4,4-ジフェニルブチル)-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
  • 13-(4,4-ジフェニルブチル)-9,10-ジメトキシ-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
  • 21-(4,4-ジフェニルブチル)-16,17-ジメトキシ-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
  • 21-(4,4-diphenylbutyl)-16,17-dimethoxy-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)：
  • 13-(4,4-Diphenylbutyl)-5,6-dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
  • 13-(4,4-Diphenylbutyl)-9,10-dimethoxy-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
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