RefChem:1049270

(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride

Also Known As: RefChem:1049270|AC1L1XN5|Mandelic acid, alpha-cyclopentyl-, (1-methyl-1,2,5,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride|3-(Methyl-1,2,5,6-tetrahydropyridine)methyl alpha-cyclopentyl-alpha-phenylglycolate HCl|(1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-cyclopentyl-2-hydroxy-2-phenylacetate chloride|MANDELIC ACID, alpha-CYCLOPENTYL-, (1-METHYL-1,2,5,6-TETRAHYDRO-4-PYRIDYL)METHYL|(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride|(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)

Molecular Formula	C20H28ClNO3
Molecular Weight	365.17578 g/mol
LogP	-1.54
Topological Polar Surface Area	50.97 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	365.17578
Heavy Atoms	25
Complexity	598.2

Chemical Identifiers

CAS Number	36174-87-5
SMILES	C[NH+]1CCC(=CC1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]