(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) benzoate

Systemtic Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) benzoate Openeye Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) benzoate CAS Name: benzoic acid (1,2,2,6,6-pentamethyl-1-piperidin-1-iumyl) ester IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) benzoate Traditional Name: benzoic acid (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26NO2/c1-16(2)12-9-13-17(3,4)18(16,5)20-15(19)14-10-7-6-8-11-14/h6-8,10-11H,9,12-13H2,1-5H3/q+1