N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride

CAS: 57645-29-1

Molecular Formula	`C22H24Cl2F3N3O3`
Molecular Weight	506.3 g/mol
Topological Polar Surface Area	71.9 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	505.1147
Heavy Atoms	33
Complexity	638.0

Chemical Identifiers

CAS Number	57645-29-1
SMILES	`COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)NC(=O)C(F)(F)F.[Cl-]`
InChIKey	`HDVRXTYWAURKCS-UHFFFAOYSA-N`

📖 Product Overview

N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride (CAS: 57645-29-1) is a chemical compound with molecular formula C22H24Cl2F3N3O3 and molecular weight 506.3 g/mol. Its IUPAC systematic name is N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride. Topological Polar Surface Area 71.9 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 505.1147 Heavy Atoms 33 Complexity 638.0 InChI Key: HDVRXTYWAURKCS-UHFFFAOYSA-N. SMILES: COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)NC(=O)C(F)(F)F.[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-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride.

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