Compound C21H26ClNO

2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octane chloride

CAS: 111897-06-4

Molecular Formula	`C21H26ClNO`
Molecular Weight	343.9 g/mol
Topological Polar Surface Area	13.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	5
Exact Mass	343.1703
Heavy Atoms	24
Complexity	349.0

Chemical Identifiers

CAS Number	111897-06-4
SMILES	`C1C[NH+]2CCC1CC2CC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]`
InChIKey	`XQSKKAHWELLGMC-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H26ClNO (CAS: 111897-06-4) is a chemical compound with molecular formula C21H26ClNO and molecular weight 343.9 g/mol. Its IUPAC systematic name is 2-[(4-phenylmethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octane chloride. Topological Polar Surface Area 13.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 5 Exact Mass 343.1703 Heavy Atoms 24 Complexity 349.0 InChI Key: XQSKKAHWELLGMC-UHFFFAOYSA-N. SMILES: C1C[NH+]2CCC1CC2CC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-].

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