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

Systemtic Name: 2-methyl-2-(4-morpholin-4-yl-4-oxidanylidene-butyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2-methyl-2-(4-morpholino-4-oxo-butyl)oxaziridin-2-ium-3-one CAS Name: 2-methyl-2-[4-(4-morpholinyl)-4-oxobutyl]-3-oxaziridin-2-iumone; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-methyl-2-(4-morpholin-4-yl-4-oxobutyl)oxaziridin-2-ium-3-one Traditional Name: 2-(4-keto-4-morpholino-butyl)-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropionic acid benzyl ester Formula: C26H33N2O6+ MolecularWeight: 469.55002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C10H17N2O4/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-12(10(14)16-12)6-2-3-9(13)11-4-7-15-8-5-11/h1-10H,11-13H2;2-8H2,1H3/q;+1