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

Systemtic Name: tert-butyl 3-ethyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2-oxazetidin-2-ium-2-carboxylate; 4-pentylpiperazine-2,6-dione Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-ethyl-4-oxo-oxazetidin-2-ium-2-carboxylate; 4-pentylpiperazine-2,6-dione CAS Name: 3-ethyl-4-oxo-2-(phenylmethoxycarbonylamino)-2-oxazetidin-2-iumcarboxylic acid tert-butyl ester; 4-pentylpiperazine-2,6-dione IUPAC Name: tert-butyl 3-ethyl-4-oxo-2-(phenylmethoxycarbonylamino)oxazetidin-2-ium-2-carboxylate; 4-pentylpiperazine-2,6-dione Traditional Name: 4-amylpiperazine-2,6-quinone; 2-(benzyloxycarbonylamino)-3-ethyl-4-keto-oxazetidin-2-ium-2-carboxylic acid tert-butyl ester Formula: C26H39N4O8+ MolecularWeight: 535.60986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(=O)NC(=O)C1.CCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCN1CC(=O)NC(=O)C1.CCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O6.C9H16N2O2/c1-5-13-14(20)25-19(13,16(22)24-17(2,3)4)18-15(21)23-11-12-9-7-6-8-10-12;1-2-3-4-5-11-6-8(12)10-9(13)7-11/h6-10,13H,5,11H2,1-4H3;2-7H2,1H3,(H,10,12,13)/p+1