Compound C23H46I2N4

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

CAS: 102585-76-2

Molecular Formula	`C23H46I2N4`
Molecular Weight	632.4 g/mol
Topological Polar Surface Area	6.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	632.1812
Heavy Atoms	29
Complexity	427.0

Chemical Identifiers

CAS Number	102585-76-2
SMILES	`C[N+]1(C2CCCC1CN(C2)CCCCCN3CC4CCCC(C3)[N+]4(C)C)C.[I-].[I-]`
InChIKey	`CYENOEXCQRGRMU-UHFFFAOYSA-L`

📖 Product Overview

Compound C23H46I2N4 (CAS: 102585-76-2) is a chemical compound with molecular formula C23H46I2N4 and molecular weight 632.4 g/mol. Its IUPAC systematic name is 3-[5-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)pentyl]-9,9-dimethyl-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 6 Exact Mass 632.1812 Heavy Atoms 29 Complexity 427.0 InChI Key: CYENOEXCQRGRMU-UHFFFAOYSA-L. SMILES: C[N+]1(C2CCCC1CN(C2)CCCCCN3CC4CCCC(C3)[N+]4(C)C)C.[I-].[I-].

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