ethyl 1-(6-tert-butyl-3,3-dimethyl-5-oxidanyl-2H-1-benzofuran-2-yl)piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(6-tert-butyl-3,3-dimethyl-5-oxidanyl-2H-1-benzofuran-2-yl)piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(6-tert-butyl-5-hydroxy-3,3-dimethyl-2H-benzofuran-2-yl)piperidin-1-ium-1-carboxylate CAS Name: 1-(6-tert-butyl-5-hydroxy-3,3-dimethyl-2H-benzofuran-2-yl)-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-tert-butyl-5-hydroxy-3,3-dimethyl-2H-1-benzofuran-2-yl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(6-tert-butyl-5-hydroxy-3,3-dimethyl-coumaran-2-yl)piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C22H34NO4+ MolecularWeight: 376.50966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCCCC1)C2C(C3=CC(=C(C=C3O2)C(C)(C)C)O)(C)C

Isomeric SMILES

CCOC(=O)[N+]1(CCCCC1)C2C(C3=CC(=C(C=C3O2)C(C)(C)C)O)(C)C

InChI

InChI=1S/C22H33NO4/c1-7-26-20(25)23(11-9-8-10-12-23)19-22(5,6)16-13-17(24)15(21(2,3)4)14-18(16)27-19/h13-14,19H,7-12H2,1-6H3/p+1