(2,2,6,6-tetramethylpiperidin-1-ium-4-yl) benzoate

Systemtic Name: (2,2,6,6-tetramethylpiperidin-1-ium-4-yl) benzoate Openeye Name: (2,2,6,6-tetramethylpiperidin-1-ium-4-yl) benzoate CAS Name: benzoic acid (2,2,6,6-tetramethyl-4-piperidin-1-iumyl) ester IUPAC Name: (2,2,6,6-tetramethylpiperidin-1-ium-4-yl) benzoate Traditional Name: benzoic acid (2,2,6,6-tetramethylpiperidin-1-ium-4-yl) ester Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)OC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H23NO2/c1-15(2)10-13(11-16(3,4)17-15)19-14(18)12-8-6-5-7-9-12/h5-9,13,17H,10-11H2,1-4H3/p+1