(1-ethyl-1,2,2,6-tetramethyl-piperidin-1-ium-4-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (1-ethyl-1,2,2,6-tetramethyl-piperidin-1-ium-4-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: (1-ethyl-1,2,2,6-tetramethyl-piperidin-1-ium-4-yl) 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid (1-ethyl-1,2,2,6-tetramethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-ethyl-1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid (1-ethyl-1,2,2,6-tetramethyl-piperidin-1-ium-4-yl) ester Formula: C28H48NO3+ MolecularWeight: 446.68562

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(CC(CC1(C)C)OC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C

Isomeric SMILES

CC[N+]1(C(CC(CC1(C)C)OC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C

InChI

InChI=1S/C28H47NO3/c1-12-29(11)19(2)15-21(18-28(29,9)10)32-24(30)14-13-20-16-22(26(3,4)5)25(31)23(17-20)27(6,7)8/h16-17,19,21H,12-15,18H2,1-11H3/p+1