Compound C33H50I2N4

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

CAS: 21256-96-2

Molecular Formula	`C33H50I2N4`
Molecular Weight	756.6 g/mol
Topological Polar Surface Area	6.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	756.21246
Heavy Atoms	39
Complexity	638.0

Chemical Identifiers

CAS Number	21256-96-2
SMILES	`C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-]`
InChIKey	`HDRIULFGJPOKPP-UHFFFAOYSA-L`

📖 Product Overview

Compound C33H50I2N4 (CAS: 21256-96-2) is a chemical compound with molecular formula C33H50I2N4 and molecular weight 756.6 g/mol. Its IUPAC systematic name is 3-benzyl-9-[3-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl]-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 8 Exact Mass 756.21246 Heavy Atoms 39 Complexity 638.0 InChI Key: HDRIULFGJPOKPP-UHFFFAOYSA-L. SMILES: C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-].

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