ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 60789-94-8

Molecular Formula	`C23H28ClNO3`
Molecular Weight	401.9 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	401.17578
Heavy Atoms	28
Complexity	484.0

Chemical Identifiers

CAS Number	60789-94-8
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]`
InChIKey	`HLEVPWCWUZKNTL-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride (CAS: 60789-94-8) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.9 g/mol. Its IUPAC systematic name is ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 401.17578 Heavy Atoms 28 Complexity 484.0 InChI Key: HLEVPWCWUZKNTL-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[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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