(1-butyl-4-carboxyoxy-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl) benzoate

Systemtic Name: (1-butyl-4-carboxyoxy-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl) benzoate Openeye Name: (1-butyl-4-carboxyoxy-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl) benzoate CAS Name: benzoic acid (1-butyl-4-carboxyoxy-2,2,6,6-tetramethyl-1-piperidin-1-iumyl) ester IUPAC Name: (1-butyl-4-carboxyoxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl) benzoate Traditional Name: benzoic acid (1-butyl-4-carboxyoxy-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl) ester Formula: C21H32NO5+ MolecularWeight: 378.48248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-6-7-13-22(27-18(23)16-11-9-8-10-12-16)20(2,3)14-17(26-19(24)25)15-21(22,4)5/h8-12,17H,6-7,13-15H2,1-5H3/p+1