Chem
J-GLOBAL ID：200907057186299428   Nikkaji number：J2.465.996H

2-[4-[(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)azo]phenoxy]-N,N,N-trimethylethaneaminium

2-[4-[(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)アゾ]フェノキシ]-N,N,N-トリメチルエタンアミニウム
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： C25H36N2[N+]O6
Molecular formula furigana： C25-H36-N3-O6
Molecular weight： 474.577
InChI： InChI=1S/C25H36N3O6/c1-28(2,3)10-11-32-23-7-4-21(5-8-23)26-27-22-6-9-24-25(20-22)34-19-17-31-15-13-29-12-14-30-16-18-33-24/h4-9,20H,10-19H2,1-3H3/q+1
InChI key： WNQDCZMLHIJXBY-UHFFFAOYSA-N
SMILES： C[N+](C)(C)CCOc1ccc(cc1)N=Nc1ccc2OCCOCCOCCOCCOc2c1
Systematic name  (3)：
  • 2-[4-[(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)アゾ]フェノキシ]-N,N,N-トリメチルエタンアミニウム
  • トリメチル(2-{4-[2-(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)ジアゼン-1-イル]フェノキシ}エチル)アザニウム
  • trimethyl(2-{4-[2-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)diazen-1-yl]phenoxy}ethyl)azanium
Other name (1)：
  • 2-[4-[(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)azo]phenoxy]-N,N,N-trimethylethaneaminium
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