Compound C28H48Br2N4O2

9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane dibromide

CAS: 16405-22-4

Molecular Formula	`C28H48Br2N4O2`
Molecular Weight	632.5 g/mol
Topological Polar Surface Area	24.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	632.21234
Heavy Atoms	36
Complexity	593.0

Chemical Identifiers

CAS Number	16405-22-4
SMILES	`CN1CC2CCCC(C1)[N+]2(C)CCOC3=CC(=CC=C3)OCC[N+]4(C5CCCC4CN(C5)C)C.[Br-].[Br-]`
InChIKey	`SHPYEHSBMBEIEK-UHFFFAOYSA-L`

📖 Product Overview

Compound C28H48Br2N4O2 (CAS: 16405-22-4) is a chemical compound with molecular formula C28H48Br2N4O2 and molecular weight 632.5 g/mol. Its IUPAC systematic name is 9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane dibromide. Topological Polar Surface Area 24.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 632.21234 Heavy Atoms 36 Complexity 593.0 InChI Key: SHPYEHSBMBEIEK-UHFFFAOYSA-L. SMILES: CN1CC2CCCC(C1)[N+]2(C)CCOC3=CC(=CC=C3)OCC[N+]4(C5CCCC4CN(C5)C)C.[Br-].[Br-].

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