(1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: (1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: (1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,2,2,6-tetramethyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1,2,2,6-tetramethylpiperidin-1-ium-4-yl) ester chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC([NH+]1C)(C)C)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CC1CC(CC([NH+]1C)(C)C)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C23H29NO3.ClH/c1-17-15-20(16-22(2,3)24(17)4)27-21(25)23(26,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,17,20,26H,15-16H2,1-4H3;1H