Chem
J-GLOBAL ID：200907023876345153   Nikkaji number：J2.191.162C

N,N′-[Biphenyl-4,4′-diylbis[oxy(1,12-dodecanediyl)]]bis[3-(trimethylaminio)propyldimethylaminium]

N,N′-[ビフェニル-4,4′-ジイルビス[オキシ(1,12-ドデカンジイル)]]ビス[3-(トリメチルアミニオ)プロピルジメチルアミニウム]
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： C52H98[N+]4O2
Molecular formula furigana： C52-H98-N4-O2
Molecular weight： 811.380
InChI： InChI=1S/C52H98N4O2/c1-53(2,3)41-31-45-55(7,8)43-27-23-19-15-11-13-17-21-25-29-47-57-51-37-33-49(34-38-51)50-35-39-52(40-36-50)58-48-30-26-22-18-14-12-16-20-24-28-44-56(9,10)46-32-42-54(4,5)6/h33-40H,11-32,41-48H2,1-10H3/q+4
InChI key： ALGFCPRWKHFXHZ-UHFFFAOYSA-N
SMILES： C[N+](C)(C)CCC[N+](C)(C)CCCCCCCCCCCCOc1ccc(cc1)c1ccc(OCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)C)cc1
Systematic name  (3)：
  • N,N′-[ビフェニル-4,4′-ジイルビス[オキシ(1,12-ドデカンジイル)]]ビス[3-(トリメチルアミニオ)プロピルジメチルアミニウム]
  • [12-({4'-[(12-{ジメチル[3-(トリメチルアザニウミル)プロピル]アザニウミル}ドデシル)オキシ]-[1,1'-ビフェニル]-4-イル}オキシ)ドデシル]ジメチル[3-(トリメチルアザニウミル)プロピル]アザニウム
  • [12-({4'-[(12-{dimethyl[3-(trimethylazaniumyl)propyl]azaniumyl}dodecyl)oxy]-[1,1'-biphenyl]-4-yl}oxy)dodecyl]dimethyl[3-(trimethylazaniumyl)propyl]azanium
Other name (1)：
  • N,N′-[Biphenyl-4,4′-diylbis[oxy(1,12-dodecanediyl)]]bis[3-(trimethylaminio)propyldimethylaminium]
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