Isonipecotic acid, 1-(3,3-diphenyl-2-oxopropyl)-4-phenyl-, ethyl ester, hydrochloride

ethyl 1-(2-oxo-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 15991-51-2

Molecular Formula	`C29H32ClNO3`
Molecular Weight	478.0 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	477.20706
Heavy Atoms	34
Complexity	603.0

Chemical Identifiers

CAS Number	15991-51-2
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]`
InChIKey	`FSNVODMKTHKAHE-UHFFFAOYSA-N`

📖 Product Overview

Isonipecotic acid, 1-(3,3-diphenyl-2-oxopropyl)-4-phenyl-, ethyl ester, hydrochloride (CAS: 15991-51-2) is a chemical compound with molecular formula C29H32ClNO3 and molecular weight 478.0 g/mol. Its IUPAC systematic name is ethyl 1-(2-oxo-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 477.20706 Heavy Atoms 34 Complexity 603.0 InChI Key: FSNVODMKTHKAHE-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].

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