Compound C22H27ClN2O4

2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoyl]oxyethyl-diethylazanium chloride

CAS: 69844-11-7

Molecular Formula	`C22H27ClN2O4`
Molecular Weight	418.9 g/mol
Topological Polar Surface Area	68.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	418.16592
Heavy Atoms	29
Complexity	633.0

Chemical Identifiers

CAS Number	69844-11-7
SMILES	`CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[Cl-]`
InChIKey	`DXXLLRJZJFTPEU-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H27ClN2O4 (CAS: 69844-11-7) is a chemical compound with molecular formula C22H27ClN2O4 and molecular weight 418.9 g/mol. Its IUPAC systematic name is 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoyl]oxyethyl-diethylazanium chloride. Topological Polar Surface Area 68.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 418.16592 Heavy Atoms 29 Complexity 633.0 InChI Key: DXXLLRJZJFTPEU-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[Cl-].

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