4-[(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 4-[(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)methyl]benzoate Openeye Name: 4-[(2,2,6,6-tetramethyl-4-oxo-piperidin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(2,2,6,6-tetramethyl-4-oxo-1-piperidin-1-iumyl)methyl]benzoate IUPAC Name: 4-[(2,2,6,6-tetramethyl-4-oxopiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-keto-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl)methyl]benzoate Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC([NH+]1CC2=CC=C(C=C2)C(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(=O)CC([NH+]1CC2=CC=C(C=C2)C(=O)[O-])(C)C)C

InChI

InChI=1S/C17H23NO3/c1-16(2)9-14(19)10-17(3,4)18(16)11-12-5-7-13(8-6-12)15(20)21/h5-8H,9-11H2,1-4H3,(H,20,21)