ethyl 1-(2-phenoxyethyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide

CAS: 18729-31-2

Molecular Formula	`C22H28BrNO3`
Molecular Weight	434.4 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	433.12527
Heavy Atoms	27
Complexity	419.0

Chemical Identifiers

CAS Number	18729-31-2
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC=CC=C2)C3=CC=CC=C3.[Br-]`
InChIKey	`PKYPVIJHPYKGNV-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-(2-phenoxyethyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide (CAS: 18729-31-2) is a chemical compound with molecular formula C22H28BrNO3 and molecular weight 434.4 g/mol. Its IUPAC systematic name is ethyl 1-(2-phenoxyethyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 433.12527 Heavy Atoms 27 Complexity 419.0 InChI Key: PKYPVIJHPYKGNV-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC=CC=C2)C3=CC=CC=C3.[Br-].

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