Compound C36H56I2N4

3-benzyl-9-[6-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)hexyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide

CAS: 17747-53-4

Molecular Formula	`C36H56I2N4`
Molecular Weight	798.7 g/mol
Topological Polar Surface Area	6.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	798.25946
Heavy Atoms	42
Complexity	679.0

Chemical Identifiers

CAS Number	17747-53-4
SMILES	`C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-]`
InChIKey	`GMZIRHOBDNYARW-UHFFFAOYSA-L`

📖 Product Overview

Compound C36H56I2N4 (CAS: 17747-53-4) is a chemical compound with molecular formula C36H56I2N4 and molecular weight 798.7 g/mol. Its IUPAC systematic name is 3-benzyl-9-[6-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)hexyl]-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 11 Exact Mass 798.25946 Heavy Atoms 42 Complexity 679.0 InChI Key: GMZIRHOBDNYARW-UHFFFAOYSA-L. SMILES: C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-].

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