Chem
J-GLOBAL ID:201207081027224569   Nikkaji number:J3.030.899I

2,2-Bis[[(aS)-2,5-decamethylene-6-methylpyridine-3-yl]methyl]-1,3-dihydro-2H-dibenzo[e,g]isoindole-2-ium

2,2-ビス[[(aS)-2,5-デカメチレン-6-メチルピリジン-3-イル]メチル]-1,3-ジヒドロ-2H-ジベンゾ[e,g]イソインドール-2-イウム
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: C50H64N2[N+]
Molecular formula furigana: C50-H64-N3
Molecular weight: 707.082
InChI: InChI=1S/C50H64N3/c1-37-39-23-15-11-7-3-5-9-13-17-29-49(51-37)41(31-39)33-53(34-42-32-40-24-16-12-8-4-6-10-14-18-30-50(42)52-38(40)2)35-47-45-27-21-19-25-43(45)44-26-20-22-28-46(44)48(47)36-53/h19-22,25-28,31-32H,3-18,23-24,29-30,33-36H2,1-2H3/q+1
InChI key: GWRSKOZJLOXYPM-UHFFFAOYSA-N
SMILES: Cc1nc2CCCCCCCCCCc1cc2C[N+]1(Cc2cc3CCCCCCCCCCc2nc3C)Cc2c(C1)c1ccccc1c1ccccc21
Systematic name  (3):
  • 2,2-ビス[[(aS)-2,5-デカメチレン-6-メチルピリジン-3-イル]メチル]-1,3-ジヒドロ-2H-ジベンゾ[e,g]イソインドール-2-イウム
  • 4-({14-メチル-13-アザビシクロ[10.2.2]ヘキサデカ-1(14),12,15-トリエン-16-イル}メチル)-4-({14-メチル-13-アザビシクロ[10.2.2]ヘキサデカ-1(15),12(16),13-トリエン-16-イル}メチル)-4-アザテトラシクロ[11.4.0.02,6.07,12]ヘプタデカ-1(17),2(6),7,9,11,13,15-ヘプタエン-4-イウム
  • 4-({14-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-16-yl}methyl)-4-({14-methyl-13-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-trien-16-yl}methyl)-4-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7,9,11,13,15-heptaen-4-ium
Other name (1):
  • 2,2-Bis[[(aS)-2,5-decamethylene-6-methylpyridine-3-yl]methyl]-1,3-dihydro-2H-dibenzo[e,g]isoindole-2-ium
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