Chem
J-GLOBAL ID:200907013305449622   Nikkaji number:J1.097.322H

(5S)-N,N,N-Trimethyl-5,6-bis[[(Z)-9-octadecenyl]oxy]hexane-1-aminium

[(5S)-5,6-ビス[(9Z)-オクタデカ-9-エン-1-イルオキシ]ヘキシル]トリメチルアザニウム
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: C45H90[N+]O2
Molecular formula furigana: C45-H90-N-O2
Molecular weight: 677.219
InChI: InChI=1S/C45H90NO2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-42-47-44-45(40-36-37-41-46(3,4)5)48-43-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,45H,6-19,24-44H2,1-5H3/q+1/b22-20-,23-21-/t45-/m0/s1
InChI key: VELDXODFSBJFJO-ZQFULBHLSA-N
SMILES: CCCCCCCC/C=C\CCCCCCCCOC[C@H](CCCC[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC
Systematic name  (3):
  • (5S)-N,N,N-トリメチル-5,6-ビス[[(Z)-9-オクタデセニル]オキシ]ヘキサン-1-アミニウム
  • [(5S)-5,6-ビス[(9Z)-オクタデカ-9-エン-1-イルオキシ]ヘキシル]トリメチルアザニウム
  • [(5S)-5,6-bis[(9Z)-octadec-9-en-1-yloxy]hexyl]trimethylazanium
Other name (1):
  • (5S)-N,N,N-Trimethyl-5,6-bis[[(Z)-9-octadecenyl]oxy]hexane-1-aminium
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