2-methyl-2-(5-morpholin-4-yl-5-oxidanylidene-pentyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2-methyl-2-(5-morpholin-4-yl-5-oxidanylidene-pentyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2-methyl-2-(5-morpholino-5-oxo-pentyl)oxaziridin-2-ium-3-one CAS Name: 2-methyl-2-[5-(4-morpholinyl)-5-oxopentyl]-3-oxaziridin-2-iumone; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-methyl-2-(5-morpholin-4-yl-5-oxopentyl)oxaziridin-2-ium-3-one Traditional Name: 2-(5-keto-5-morpholino-pentyl)-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropionic acid benzyl ester Formula: C27H35N2O6+ MolecularWeight: 483.5766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)O1)CCCCC(=O)N2CCOCC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(C(=O)O1)CCCCC(=O)N2CCOCC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C11H19N2O4/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-13(11(15)17-13)7-3-2-4-10(14)12-5-8-16-9-6-12/h1-10H,11-13H2;2-9H2,1H3/q;+1