[2-oxidanylidene-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]ethyl] ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C19H25N3O3/c1-18(2)9-15(10-19(3,4)22-18)21-16(23)12-25-17(24)14-7-5-13(11-20)6-8-14/h5-8,15,22H,9-10,12H2,1-4H3,(H,21,23)/p+1