(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 3-methyl-2-oxidanyl-2-phenyl-butanoate chloride

Systemtic Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 3-methyl-2-oxidanyl-2-phenyl-butanoate chloride Openeye Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-hydroxy-3-methyl-2-phenyl-butanoate chloride CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl ester chloride IUPAC Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl ester chloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC[NH+](CC2)C)O.[Cl-]

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC[NH+](CC2)C)O.[Cl-]

InChI

InChI=1S/C18H25NO3.ClH/c1-14(2)18(21,16-7-5-4-6-8-16)17(20)22-13-15-9-11-19(3)12-10-15;/h4-9,14,21H,10-13H2,1-3H3;1H