RefChem:1049273

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

Also Known As: AC1L1PTG|AC1Q1SHG|RefChem:1049273|PRIXSTVGPLZOTP-UHFFFAOYSA-N|Mandelic acid, alpha-isopropyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, hydrochloride|3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl isopropylphenylglycolate hydrochloride|(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate;chloride|(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride|(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)|5-{[(2-hydroxy-3-methyl-2-phenylbutanoyl)oxy]methyl}-1-methyl-1,2,3,6-tetrahydropyridinium chloride

Molecular Formula	C18H26ClNO3
Molecular Weight	339.16013 g/mol
LogP	-2.08
Topological Polar Surface Area	50.97 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	339.16013
Heavy Atoms	23
Complexity	544.5

Chemical Identifiers

CAS Number	101711-01-7
SMILES	CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CCC[NH+](C2)C)O.[Cl-]