(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-chlorobenzoate chloride

CAS: 33422-49-0

Molecular Formula	`C20H21Cl2NO3`
Molecular Weight	394.3 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	393.08984
Heavy Atoms	26
Complexity	491.0

Chemical Identifiers

CAS Number	33422-49-0
SMILES	`C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl.[Cl-]`
InChIKey	`BJMBVJWYWMUVKG-UHFFFAOYSA-N`

📖 Product Overview

(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-chlorobenzoate chloride (CAS: 33422-49-0) is a chemical compound with molecular formula C20H21Cl2NO3 and molecular weight 394.3 g/mol. Its IUPAC systematic name is (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-chlorobenzoate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 393.08984 Heavy Atoms 26 Complexity 491.0 InChI Key: BJMBVJWYWMUVKG-UHFFFAOYSA-N. SMILES: C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl.[Cl-].

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