Compound C35H54I2N4

3-benzyl-9-[5-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)pentyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide

CAS: 17713-11-0

Molecular Formula	`C35H54I2N4`
Molecular Weight	784.6 g/mol
Topological Polar Surface Area	6.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	784.2438
Heavy Atoms	41
Complexity	666.0

Chemical Identifiers

CAS Number	17713-11-0
SMILES	`C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-]`
InChIKey	`VPSANDKMOVFBJT-UHFFFAOYSA-L`

📖 Product Overview

Compound C35H54I2N4 (CAS: 17713-11-0) is a chemical compound with molecular formula C35H54I2N4 and molecular weight 784.6 g/mol. Its IUPAC systematic name is 3-benzyl-9-[5-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)pentyl]-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 10 Exact Mass 784.2438 Heavy Atoms 41 Complexity 666.0 InChI Key: VPSANDKMOVFBJT-UHFFFAOYSA-L. SMILES: C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-].

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