tert-butyl 3-cyano-2-[1-(2-hydroxyethylamino)piperidin-1-ium-1-yl]benzoate

Systemtic Name: tert-butyl 3-cyano-2-[1-(2-hydroxyethylamino)piperidin-1-ium-1-yl]benzoate Openeye Name: tert-butyl 3-cyano-2-[1-(2-hydroxyethylamino)piperidin-1-ium-1-yl]benzoate CAS Name: 3-cyano-2-[1-(2-hydroxyethylamino)-1-piperidin-1-iumyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-[1-(2-hydroxyethylamino)piperidin-1-ium-1-yl]benzoate Traditional Name: 3-cyano-2-[1-(2-hydroxyethylamino)piperidin-1-ium-1-yl]benzoic acid tert-butyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC(=C1[N+]2(CCCCC2)NCCO)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC(=C1[N+]2(CCCCC2)NCCO)C#N

InChI

InChI=1S/C19H28N3O3/c1-19(2,3)25-18(24)16-9-7-8-15(14-20)17(16)22(21-10-13-23)11-5-4-6-12-22/h7-9,21,23H,4-6,10-13H2,1-3H3/q+1