2-(3,4-Methylenedioxybenzyl)quinuclidine hydrochloride

2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride

CAS: 111897-07-5

Molecular Formula	`C15H20ClNO2`
Molecular Weight	281.78 g/mol
Topological Polar Surface Area	22.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	281.11826
Heavy Atoms	19
Complexity	301.0

Chemical Identifiers

CAS Number	111897-07-5
SMILES	`C1C[NH+]2CCC1CC2CC3=CC4=C(C=C3)OCO4.[Cl-]`
InChIKey	`LNBXDCSOFJIZJF-UHFFFAOYSA-N`

📖 Product Overview

2-(3,4-Methylenedioxybenzyl)quinuclidine hydrochloride (CAS: 111897-07-5) is a chemical compound with molecular formula C15H20ClNO2 and molecular weight 281.78 g/mol. Its IUPAC systematic name is 2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride. Topological Polar Surface Area 22.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 281.11826 Heavy Atoms 19 Complexity 301.0 InChI Key: LNBXDCSOFJIZJF-UHFFFAOYSA-N. SMILES: C1C[NH+]2CCC1CC2CC3=CC4=C(C=C3)OCO4.[Cl-].

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