Compound C27H36ClNO3

3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride

CAS: 15037-49-7

Molecular Formula	`C27H36ClNO3`
Molecular Weight	458.0 g/mol
Topological Polar Surface Area	51.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	457.23837
Heavy Atoms	32
Complexity	541.0

Chemical Identifiers

CAS Number	15037-49-7
SMILES	`C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCCC3CC[NH+](CC3)C4=CC=CC=C4)O.[Cl-]`
InChIKey	`KEMJRHORYCWEJC-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H36ClNO3 (CAS: 15037-49-7) is a chemical compound with molecular formula C27H36ClNO3 and molecular weight 458.0 g/mol. Its IUPAC systematic name is 3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride. Topological Polar Surface Area 51.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 457.23837 Heavy Atoms 32 Complexity 541.0 InChI Key: KEMJRHORYCWEJC-UHFFFAOYSA-N. SMILES: C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCCC3CC[NH+](CC3)C4=CC=CC=C4)O.[Cl-].

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