(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride

CAS: 33422-58-1

Molecular Formula	`C20H22Cl2N2O3`
Molecular Weight	409.3 g/mol
Topological Polar Surface Area	73.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	408.10074
Heavy Atoms	27
Complexity	523.0

Chemical Identifiers

CAS Number	33422-58-1
SMILES	`C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)N)Cl.[Cl-]`
InChIKey	`MLDRGBDROVDETR-UHFFFAOYSA-N`

📖 Product Overview

(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride (CAS: 33422-58-1) is a chemical compound with molecular formula C20H22Cl2N2O3 and molecular weight 409.3 g/mol. Its IUPAC systematic name is (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride. Topological Polar Surface Area 73.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 408.10074 Heavy Atoms 27 Complexity 523.0 InChI Key: MLDRGBDROVDETR-UHFFFAOYSA-N. SMILES: C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)N)Cl.[Cl-].

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