Compound C21H25BrN2O2

[3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] pyridine-3-carboxylate bromide

CAS: 74203-57-9

Molecular Formula	`C21H25BrN2O2`
Molecular Weight	417.3 g/mol
Topological Polar Surface Area	43.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	416.10995
Heavy Atoms	26
Complexity	496.0

Chemical Identifiers

CAS Number	74203-57-9
SMILES	`CC1C2(CCCC(C2)[NH+]1C)C3=CC(=CC=C3)OC(=O)C4=CN=CC=C4.[Br-]`
InChIKey	`TXOGMSNEULUYAF-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H25BrN2O2 (CAS: 74203-57-9) is a chemical compound with molecular formula C21H25BrN2O2 and molecular weight 417.3 g/mol. Its IUPAC systematic name is [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] pyridine-3-carboxylate bromide. Topological Polar Surface Area 43.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 416.10995 Heavy Atoms 26 Complexity 496.0 InChI Key: TXOGMSNEULUYAF-UHFFFAOYSA-N. SMILES: CC1C2(CCCC(C2)[NH+]1C)C3=CC(=CC=C3)OC(=O)C4=CN=CC=C4.[Br-].

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