[1-(butylcarbamoyloxy)-2,2,4,6-tetramethyl-piperidin-1-ium-1-yl] benzoate

Systemtic Name: [1-(butylcarbamoyloxy)-2,2,4,6-tetramethyl-piperidin-1-ium-1-yl] benzoate Openeye Name: [1-(butylcarbamoyloxy)-2,2,4,6-tetramethyl-piperidin-1-ium-1-yl] benzoate CAS Name: benzoic acid [1-[butylamino(oxo)methoxy]-2,2,4,6-tetramethyl-1-piperidin-1-iumyl] ester IUPAC Name: [1-(butylcarbamoyloxy)-2,2,4,6-tetramethylpiperidin-1-ium-1-yl] benzoate Traditional Name: benzoic acid [1-(butylcarbamoyloxy)-2,2,4,6-tetramethyl-piperidin-1-ium-1-yl] ester Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-6-7-13-22-20(25)27-23(17(3)14-16(2)15-21(23,4)5)26-19(24)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3/p+1