RefChem:1088814

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

Also Known As: AC1L1PSM|AC1Q1SHE|RefChem:1088814|alpha-Cyclopropylmandelic acid (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester HCl|Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride|(1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-cyclopropyl-2-hydroxy-2-phenylacetate chloride|MANDELIC ACID, alpha-CYCLOPROPYL-, (1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDYL)METHYL|(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride|(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-cyclopropyl-2-hydroxy-2-phenylacetate|4-({[cyclopropyl(hydroxy)phenylacetyl]oxy}methyl)-1-methyl-1,2,3,6-tetrahydropyridinium chloride

Molecular Formula	C18H24ClNO3
Molecular Weight	337.14447 g/mol
LogP	-2.32
Topological Polar Surface Area	50.97 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	337.14447
Heavy Atoms	23
Complexity	570.9

Chemical Identifiers

CAS Number	101710-93-4
SMILES	C[NH+]1CCC(=CC1)COC(=O)C(C2CC2)(C3=CC=CC=C3)O.[Cl-]