ethyl 4-[2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C20H30N2O3/c1-6-25-18(24)15-7-9-16(10-8-15)21-17(23)11-14-12-19(2,3)22-20(4,5)13-14/h7-10,14,22H,6,11-13H2,1-5H3,(H,21,23)/p+1