RefChem:1088817

(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride

Also Known As: AC1Q1SHC|RefChem:1088817|AC1L1PT7|Mandelic acid, alpha-isopropyl-, 1,4-dimethyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, hydrochloride|3-(1,4-Dimethyl-1,2,5,6-tetrahydropyridine)methyl-alpha-isopropyl-alpha-phenylglycolate HCl|(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride|(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate;chloride|MANDELIC ACID, alpha-ISOPROPYL-, 1,4-DIMETHYL-1,2,5,6-TETRAHYDRO-3-PYRIDYLMETHYL|(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate,chloride|(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl2-hydroxy-3-methyl-2-phenylbutanoate|(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl2-hydroxy-3-methyl-2-phenylbutanoate chloride|5-{[(2-hydroxy-3-methyl-2-phenylbutanoyl)oxy]methyl}-1,4-dimethyl-1,2,3,6-tetrahydropyridinium chloride

Molecular Formula	C19H28ClNO3
Molecular Weight	353.17578 g/mol
LogP	-1.69
Topological Polar Surface Area	50.97 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	353.17578
Heavy Atoms	24
Complexity	585.5

Chemical Identifiers

CAS Number	101710-99-0
SMILES	CC1=C(C[NH+](CC1)C)COC(=O)C(C2=CC=CC=C2)(C(C)C)O.[Cl-]