ethyl 1-[2-(4-fluorobenzoyl)prop-2-enyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 102395-64-2

Molecular Formula	`C24H27ClFNO3`
Molecular Weight	431.9 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	431.16635
Heavy Atoms	30
Complexity	583.0

Chemical Identifiers

CAS Number	102395-64-2
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CC(=C)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.[Cl-]`
InChIKey	`JUVKDVKZKPYCNE-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-[2-(4-fluorobenzoyl)prop-2-enyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride (CAS: 102395-64-2) is a chemical compound with molecular formula C24H27ClFNO3 and molecular weight 431.9 g/mol. Its IUPAC systematic name is ethyl 1-[2-(4-fluorobenzoyl)prop-2-enyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 431.16635 Heavy Atoms 30 Complexity 583.0 InChI Key: JUVKDVKZKPYCNE-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CC(=C)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.[Cl-].

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📚 Academic Support

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