tert-butyl 3-butyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2-oxazetidin-2-ium-2-carboxylate; 4-pentylpiperazine-2,6-dione

Systemtic Name: tert-butyl 3-butyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2-oxazetidin-2-ium-2-carboxylate; 4-pentylpiperazine-2,6-dione Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-butyl-4-oxo-oxazetidin-2-ium-2-carboxylate; 4-pentylpiperazine-2,6-dione CAS Name: 3-butyl-4-oxo-2-(phenylmethoxycarbonylamino)-2-oxazetidin-2-iumcarboxylic acid tert-butyl ester; 4-pentylpiperazine-2,6-dione IUPAC Name: tert-butyl 3-butyl-4-oxo-2-(phenylmethoxycarbonylamino)oxazetidin-2-ium-2-carboxylate; 4-pentylpiperazine-2,6-dione Traditional Name: 4-amylpiperazine-2,6-quinone; 2-(benzyloxycarbonylamino)-3-butyl-4-keto-oxazetidin-2-ium-2-carboxylic acid tert-butyl ester Formula: C28H43N4O8+ MolecularWeight: 563.66302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(=O)NC(=O)C1.CCCCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCN1CC(=O)NC(=O)C1.CCCCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O6.C9H16N2O2/c1-5-6-12-15-16(22)27-21(15,18(24)26-19(2,3)4)20-17(23)25-13-14-10-8-7-9-11-14;1-2-3-4-5-11-6-8(12)10-9(13)7-11/h7-11,15H,5-6,12-13H2,1-4H3;2-7H2,1H3,(H,10,12,13)/p+1