Chem
J-GLOBAL ID：201107088792834852   Nikkaji number：J2.898.261E

2,5-(Decane-1,10-diyl)-3-(methoxycarbonyl)-1-(tert-butyloxycarbonylmethyl)pyridinium

2,5-(デカン-1,10-ジイル)-3-(メトキシカルボニル)-1-(tert-ブチルオキシカルボニルメチル)ピリジニウム
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： C23H36[N+]O4
Molecular formula furigana： C23-H36-N-O4
Molecular weight： 390.543
InChI： InChI=1S/C23H36NO4/c1-23(2,3)28-21(25)17-24-16-18-13-11-9-7-5-6-8-10-12-14-20(24)19(15-18)22(26)27-4/h15-16H,5-14,17H2,1-4H3/q+1
InChI key： GBWNWAUOABPFIN-UHFFFAOYSA-N
SMILES： COC(=O)c1cc2CCCCCCCCCCc1[n+](CC(=O)OC(C)(C)C)c2
Systematic name  (3)：
  • 2,5-(デカン-1,10-ジイル)-3-(メトキシカルボニル)-1-(tert-ブチルオキシカルボニルメチル)ピリジニウム
  • 13-[2-(tert-ブトキシ)-2-オキソエチル]-16-(メトキシカルボニル)-13-アザビシクロ[10.2.2]ヘキサデカ-1(14),12,15-トリエン-13-イウム
  • 13-[2-(tert-butoxy)-2-oxoethyl]-16-(methoxycarbonyl)-13-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-13-ium
Other name (1)：
  • 2,5-(Decane-1,10-diyl)-3-(methoxycarbonyl)-1-(tert-butyloxycarbonylmethyl)pyridinium
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