Compound C39H62I2N4

3-benzyl-9-[9-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)nonyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide

CAS: 17713-14-3

Molecular Formula	`C39H62I2N4`
Molecular Weight	840.7 g/mol
Topological Polar Surface Area	6.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	14
Exact Mass	840.3064
Heavy Atoms	45
Complexity	722.0

Chemical Identifiers

CAS Number	17713-14-3
SMILES	`C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-]`
InChIKey	`PWMDFDGOHHJDCG-UHFFFAOYSA-L`

📖 Product Overview

Compound C39H62I2N4 (CAS: 17713-14-3) is a chemical compound with molecular formula C39H62I2N4 and molecular weight 840.7 g/mol. Its IUPAC systematic name is 3-benzyl-9-[9-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)nonyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide. Topological Polar Surface Area 6.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 14 Exact Mass 840.3064 Heavy Atoms 45 Complexity 722.0 InChI Key: PWMDFDGOHHJDCG-UHFFFAOYSA-L. SMILES: C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-].

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