Compound C21H32BrNO2

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

CAS: 56232-08-7

Molecular Formula	`C21H32BrNO2`
Molecular Weight	410.4 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	409.16165
Heavy Atoms	25
Complexity	438.0

Chemical Identifiers

CAS Number	56232-08-7
SMILES	`CCCCCC(=O)OC1=CC=CC(=C1)C23CCCC(C2)[NH+](C3C)C.[Br-]`
InChIKey	`PXHSJJCXEGJUBT-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H32BrNO2 (CAS: 56232-08-7) is a chemical compound with molecular formula C21H32BrNO2 and molecular weight 410.4 g/mol. Its IUPAC systematic name is [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] hexanoate bromide. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 409.16165 Heavy Atoms 25 Complexity 438.0 InChI Key: PXHSJJCXEGJUBT-UHFFFAOYSA-N. SMILES: CCCCCC(=O)OC1=CC=CC(=C1)C23CCCC(C2)[NH+](C3C)C.[Br-].

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