Chem
J-GLOBAL ID：200907000516481889   Nikkaji number：J740.710F

1-Ethyl-1-methyl-4,4-[(2,2,5,5,8,8-hexamethyl-2,5,8-triazonianonane-1,9-diyl)bis(2-nitro-4,1-phenylene)bis(oxy)bis(3,5-dimethyl-4,1-phenylene)]piperidinium

1-エチル-1-メチル-4,4-[(2,2,5,5,8,8-ヘキサメチル-2,5,8-トリアゾニアノナン-1,9-ジイル)ビス(2-ニトロ-4,1-フェニレン)ビス(オキシ)ビス(3,5-ジメチル-4,1-フェニレン)]ピペリジニウム
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： C48H68[N+]6O4[O-]2
Molecular formula furigana： C48-H68-N6-O6
Molecular weight： 825.106
InChI： InChI=1S/C48H68N6O6/c1-13-54(12)20-18-48(19-21-54)40-26-34(2)46(35(3)27-40)59-44-16-14-38(30-42(44)49(55)56)32-52(8,9)24-22-51(6,7)23-25-53(10,11)33-39-15-17-45(43(31-39)50(57)58)60-47-36(4)28-41(48)29-37(47)5/h14-17,26-31H,13,18-25,32-33H2,1-12H3/q+4
InChI key： GTMRRMPAYNCCJJ-UHFFFAOYSA-N
SMILES： CC[N+]1(C)CCC2(CC1)c1cc(C)c(Oc3ccc(C[N+](C)(C)CC[N+](C)(C)CC[N+](C)(C)Cc4ccc(Oc5c(C)cc2cc5C)c(c4)[N+](=O)[O-])cc3[N+](=O)[O-])c(C)c1
Systematic name  (3)：
  • 1-エチル-1-メチル-4,4-[(2,2,5,5,8,8-ヘキサメチル-2,5,8-トリアゾニアノナン-1,9-ジイル)ビス(2-ニトロ-4,1-フェニレン)ビス(オキシ)ビス(3,5-ジメチル-4,1-フェニレン)]ピペリジニウム
  • 1'-エチル-1',4,10,18,18,21,21,24,24,33,36-ウンデカメチル-29,32-ジニトロ-2,12-ジオキサ-18,21,24-トリアザスピロ[ペンタシクロ[24.2.2.23,6.28,11.213,16]ヘキサトリアコンタン-7,4'-ピペリジン]-1(28),3,5,8,10,13,15,26,29,31,33,35-ドデカエン-18,21,24,1'-テトライウム
  • 1'-ethyl-1',4,10,18,18,21,21,24,24,33,36-undecamethyl-29,32-dinitro-2,12-dioxa-18,21,24-triazaspiro[pentacyclo[24.2.2.23,6.28,11.213,16]hexatriacontane-7,4'-piperidine]-1(28),3,5,8,10,13,15,26,29,31,33,35-dodecaene-18,21,24,1'-tetraium
Other name (1)：
  • 1-Ethyl-1-methyl-4,4-[(2,2,5,5,8,8-hexamethyl-2,5,8-triazonianonane-1,9-diyl)bis(2-nitro-4,1-phenylene)bis(oxy)bis(3,5-dimethyl-4,1-phenylene)]piperidinium
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