Compound C21H43Cl2N3O3

3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethylazanium;dichloride;trihydrate

CAS: 23462-16-0

Molecular Formula	`C21H43Cl2N3O3`
Molecular Weight	456.5 g/mol
Topological Polar Surface Area	15.1 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	455.26816
Heavy Atoms	29
Complexity	335.0

Chemical Identifiers

CAS Number	23462-16-0
SMILES	`CC[NH+](CC)CCC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.O.O.O.[Cl-].[Cl-]`
InChIKey	`ZSYIOODCTFEYQV-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H43Cl2N3O3 (CAS: 23462-16-0) is a chemical compound with molecular formula C21H43Cl2N3O3 and molecular weight 456.5 g/mol. Its IUPAC systematic name is 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethylazanium;dichloride;trihydrate. Topological Polar Surface Area 15.1 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 455.26816 Heavy Atoms 29 Complexity 335.0 InChI Key: ZSYIOODCTFEYQV-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.O.O.O.[Cl-].[Cl-].

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