Compound C21H26BrNO2

phenyl-[2-(2-piperidin-1-ium-1-ylpropoxy)phenyl]methanone bromide

CAS: 10571-21-8

Molecular Formula	`C21H26BrNO2`
Molecular Weight	404.3 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	403.1147
Heavy Atoms	25
Complexity	385.0

Chemical Identifiers

CAS Number	10571-21-8
SMILES	`CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[NH+]3CCCCC3.[Br-]`
InChIKey	`NEQRJYWSHMKNSF-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H26BrNO2 (CAS: 10571-21-8) is a chemical compound with molecular formula C21H26BrNO2 and molecular weight 404.3 g/mol. Its IUPAC systematic name is phenyl-[2-(2-piperidin-1-ium-1-ylpropoxy)phenyl]methanone bromide. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 403.1147 Heavy Atoms 25 Complexity 385.0 InChI Key: NEQRJYWSHMKNSF-UHFFFAOYSA-N. SMILES: CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[NH+]3CCCCC3.[Br-].

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