ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide

CAS: 14120-85-5

Molecular Formula	`C30H34BrNO3`
Molecular Weight	536.5 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	535.1722
Heavy Atoms	35
Complexity	617.0

Chemical Identifiers

CAS Number	14120-85-5
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]`
InChIKey	`PSSMPEOGGKKDRX-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide (CAS: 14120-85-5) is a chemical compound with molecular formula C30H34BrNO3 and molecular weight 536.5 g/mol. Its IUPAC systematic name is ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 535.1722 Heavy Atoms 35 Complexity 617.0 InChI Key: PSSMPEOGGKKDRX-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-].

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