3-[3-(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)propoxy]benzoate

Systemtic Name: 3-[3-(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(2,2,6,6-tetramethyl-4-oxo-piperidin-1-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(2,2,6,6-tetramethyl-4-oxo-1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-keto-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl)propoxy]benzoate Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC([NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(=O)CC([NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])(C)C)C

InChI

InChI=1S/C19H27NO4/c1-18(2)12-15(21)13-19(3,4)20(18)9-6-10-24-16-8-5-7-14(11-16)17(22)23/h5,7-8,11H,6,9-10,12-13H2,1-4H3,(H,22,23)