Chem
J-GLOBAL ID：200907003332553436   Nikkaji number：J2.116.894G

N,N-Bis[(2,2′-bipyridine 1,1′-dioxide)-5-ylmethyl]-N′-[2,4,6-triethyl-3,5-bis(ammoniomethyl)benzyl]succinamide

N,N-ビス[(2,2′-ビピリジン1,1′-ジオキシド)-5-イルメチル]-N′-[2,4,6-トリエチル-3,5-ビス(アンモニオメチル)ベンジル]スクシンアミド
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： C41H50N2[N+]6O2[O-]4
Molecular formula furigana： C41-H50-N8-O6
Molecular weight： 750.900
InChI： InChI=1S/C41H48N8O6/c1-4-30-33(21-42)31(5-2)35(32(6-3)34(30)22-43)23-44-40(50)17-18-41(51)45(24-28-13-15-38(48(54)26-28)36-11-7-9-19-46(36)52)25-29-14-16-39(49(55)27-29)37-12-8-10-20-47(37)53/h7-16,19-20,26-27H,4-6,17-18,21-25,42-43H2,1-3H3,(H,44,50)/p+2
InChI key： YAXAGFRYZRCWNT-UHFFFAOYSA-P
SMILES： CCc1c(C[NH3+])c(CC)c(CNC(=O)CCC(=O)N(Cc2ccc(c3cccc[n+]3[O-])[n+]([O-])c2)Cc2ccc(c3cccc[n+]3[O-])[n+]([O-])c2)c(CC)c1C[NH3+]
Systematic name  (3)：
  • N,N-ビス[(2,2′-ビピリジン1,1′-ジオキシド)-5-イルメチル]-N′-[2,4,6-トリエチル-3,5-ビス(アンモニオメチル)ベンジル]スクシンアミド
  • 5'-{[3-({[3,5-ビス(アザニウミルメチル)-2,4,6-トリエチルフェニル]メチル}カルバモイル)-N-({1,1'-ジオキシド-[2,2'-ビピリジン]-1,1'-ジイウム-5-イル}メチル)プロパンアミド]メチル}-[2,2'-ビピリジン]-1,1'-ジイウム-1,1'-ビス(オラート)
  • 5'-{[3-({[3,5-bis(azaniumylmethyl)-2,4,6-triethylphenyl]methyl}carbamoyl)-N-({1,1'-dioxido-[2,2'-bipyridine]-1,1'-diium-5-yl}methyl)propanamido]methyl}-[2,2'-bipyridine]-1,1'-diium-1,1'-bis(olate)
Other name (1)：
  • N,N-Bis[(2,2′-bipyridine 1,1′-dioxide)-5-ylmethyl]-N′-[2,4,6-triethyl-3,5-bis(ammoniomethyl)benzyl]succinamide
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