Compound C28H48I2N4O2

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

CAS: 20302-39-0

Molecular Formula	`C28H48I2N4O2`
Molecular Weight	726.5 g/mol
Topological Polar Surface Area	24.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	726.18665
Heavy Atoms	36
Complexity	585.0

Chemical Identifiers

CAS Number	20302-39-0
SMILES	`C[N+]1(C2CCCC1CN(C2)CCOC3=CC(=CC=C3)OCCN4CC5CCCC(C4)[N+]5(C)C)C.[I-].[I-]`
InChIKey	`MBRFNRBQWDGUMS-UHFFFAOYSA-L`

📖 Product Overview

Compound C28H48I2N4O2 (CAS: 20302-39-0) is a chemical compound with molecular formula C28H48I2N4O2 and molecular weight 726.5 g/mol. Its IUPAC systematic name is 3-[2-[3-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethoxy]phenoxy]ethyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide. Topological Polar Surface Area 24.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 726.18665 Heavy Atoms 36 Complexity 585.0 InChI Key: MBRFNRBQWDGUMS-UHFFFAOYSA-L. SMILES: C[N+]1(C2CCCC1CN(C2)CCOC3=CC(=CC=C3)OCCN4CC5CCCC(C4)[N+]5(C)C)C.[I-].[I-].

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