N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride

CAS: 57645-31-5

Molecular Formula	`C22H26Cl3N3O3`
Molecular Weight	486.8 g/mol
Topological Polar Surface Area	71.9 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	485.10397
Heavy Atoms	31
Complexity	566.0

Chemical Identifiers

CAS Number	57645-31-5
SMILES	`COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)NC(=O)CCl.[Cl-]`
InChIKey	`YMSJZHXYEOSPFR-UHFFFAOYSA-N`

📖 Product Overview

N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride (CAS: 57645-31-5) is a chemical compound with molecular formula C22H26Cl3N3O3 and molecular weight 486.8 g/mol. Its IUPAC systematic name is N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride. Topological Polar Surface Area 71.9 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 485.10397 Heavy Atoms 31 Complexity 566.0 InChI Key: YMSJZHXYEOSPFR-UHFFFAOYSA-N. SMILES: COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)NC(=O)CCl.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride.

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