RefChem:1049269

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

Also Known As: RefChem:1049269|AC1L1PZ4|Mandelic acid, alpha-cyclobutyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride|(1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-cyclobutyl-2-hydroxy-2-phenylacetate chloride|MANDELIC ACID, alpha-CYCLOBUTYL-, (1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDYL)METHYL|(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate chloride|(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-cyclobutyl-2-hydroxy-2-phenylacetate|(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl cyclobutyl(hydroxy)phenylacetate--hydrogen chloride (1/1)

Molecular Formula	C19H26ClNO3
Molecular Weight	351.16013 g/mol
LogP	-1.93
Topological Polar Surface Area	50.97 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	351.16013
Heavy Atoms	24
Complexity	585.5

Chemical Identifiers

CAS Number	101756-56-3
SMILES	C[NH+]1CCC(=CC1)COC(=O)C(C2CCC2)(C3=CC=CC=C3)O.[Cl-]