ethyl (3S)-1-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC(=NO2)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=NO2)C(C)(C)C

InChI

InChI=1S/C17H27N3O4/c1-5-23-16(22)12-7-6-8-20(10-12)11-14(21)18-15-9-13(19-24-15)17(2,3)4/h9,12H,5-8,10-11H2,1-4H3,(H,18,21)/p+1/t12-/m0/s1