(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-tert-butylbenzoate

Systemtic Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-tert-butylbenzoate Openeye Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (1,2,2,6,6-pentamethyl-1-piperidin-1-iumyl) ester IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl) ester Formula: C21H34NO2+ MolecularWeight: 332.50016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO2/c1-19(2,3)17-12-10-16(11-13-17)18(23)24-22(8)20(4,5)14-9-15-21(22,6)7/h10-13H,9,14-15H2,1-8H3/q+1