Chem
J-GLOBAL ID:200907016476755038   Nikkaji number:J472.457G

1-(2-Dioctylamino-2-oxoethyl)-4-[3-(trioctylammonio)propyl]-1,4-diazoniabicyclo[2.2.2]octane

1-(2-ジオクチルアミノ-2-オキソエチル)-4-[3-(トリオクチルアンモニオ)プロピル]-1,4-ジアゾニアビシクロ[2.2.2]オクタン
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: C51H105N[N+]3O
Molecular formula furigana: C51-H105-N4-O
Molecular weight: 790.426
InChI: InChI=1S/C51H105N4O/c1-6-11-16-21-26-31-37-52(38-32-27-22-17-12-7-2)51(56)50-55-47-44-54(45-48-55,46-49-55)43-36-42-53(39-33-28-23-18-13-8-3,40-34-29-24-19-14-9-4)41-35-30-25-20-15-10-5/h6-50H2,1-5H3/q+3
InChI key: UNKBZYZZZRUBQB-UHFFFAOYSA-N
SMILES: CCCCCCCCN(CCCCCCCC)C(=O)C[N+]12CC[N+](CCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC)(CC1)CC2
Systematic name  (3):
  • 1-(2-ジオクチルアミノ-2-オキソエチル)-4-[3-(トリオクチルアンモニオ)プロピル]-1,4-ジアゾニアビシクロ[2.2.2]オクタン
  • 4-[(ジオクチルカルバモイル)メチル]-1-[3-(トリオクチルアザニウミル)プロピル]-1,4-ジアザビシクロ[2.2.2]オクタン-1,4-ジイウム
  • 4-[(dioctylcarbamoyl)methyl]-1-[3-(trioctylazaniumyl)propyl]-1,4-diazabicyclo[2.2.2]octane-1,4-diium
Other name (1):
  • 1-(2-Dioctylamino-2-oxoethyl)-4-[3-(trioctylammonio)propyl]-1,4-diazoniabicyclo[2.2.2]octane
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