tert-butyl 1-[1-oxidanyl-2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[1-oxidanyl-2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[1-hydroxy-2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[1-hydroxy-2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[1-hydroxy-2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[1-hydroxy-2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1)C(C(=O)NCCC2=CC=CC=N2)O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1)C(C(=O)NCCC2=CC=CC=N2)O

InChI

InChI=1S/C18H27N3O4/c1-18(2,3)25-17(24)21(12-6-7-13-21)16(23)15(22)20-11-9-14-8-4-5-10-19-14/h4-5,8,10,16,23H,6-7,9,11-13H2,1-3H3/p+1