1-Azabicyclo(3.3.1)nonanyl phenyl-2-thienylglycolate methobromide

(1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide

CAS: 73680-93-0

Molecular Formula	`C21H26BrNO3S`
Molecular Weight	452.4 g/mol
Topological Polar Surface Area	74.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	451.08167
Heavy Atoms	27
Complexity	523.0

Chemical Identifiers

CAS Number	73680-93-0
SMILES	`C[N+]12CCCC(C1)CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O.[Br-]`
InChIKey	`VFZPNJZREMPLCL-UHFFFAOYSA-M`

📖 Product Overview

1-Azabicyclo(3.3.1)nonanyl phenyl-2-thienylglycolate methobromide (CAS: 73680-93-0) is a chemical compound with molecular formula C21H26BrNO3S and molecular weight 452.4 g/mol. Its IUPAC systematic name is (1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide. Topological Polar Surface Area 74.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 451.08167 Heavy Atoms 27 Complexity 523.0 InChI Key: VFZPNJZREMPLCL-UHFFFAOYSA-M. SMILES: C[N+]12CCCC(C1)CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O.[Br-].

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