(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 3-methyl-2-oxidanyl-2-phenyl-butanoate chloride

Systemtic Name: (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 3-methyl-2-oxidanyl-2-phenyl-butanoate chloride Openeye Name: (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenyl-butanoate chloride CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl ester chloride IUPAC Name: (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl ester chloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C[NH+](CC1)C)COC(=O)C(C2=CC=CC=C2)(C(C)C)O.[Cl-]

Isomeric SMILES

CC1=C(C[NH+](CC1)C)COC(=O)C(C2=CC=CC=C2)(C(C)C)O.[Cl-]

InChI

InChI=1S/C19H27NO3.ClH/c1-14(2)19(22,17-8-6-5-7-9-17)18(21)23-13-16-12-20(4)11-10-15(16)3;/h5-9,14,22H,10-13H2,1-4H3;1H