2-ethyl-2-(2-hydroxyethyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2-ethyl-2-(2-hydroxyethyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2-ethyl-2-(2-hydroxyethyl)oxaziridin-2-ium-3-one CAS Name: 2-ethyl-2-(2-hydroxyethyl)-3-oxaziridin-2-iumone; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-ethyl-2-(2-hydroxyethyl)oxaziridin-2-ium-3-one Traditional Name: 2-ethyl-2-(2-hydroxyethyl)oxaziridin-2-ium-3-one; 3-phenylpropionic acid benzyl ester Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C5H10NO3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-2-6(3-4-7)5(8)9-6/h1-10H,11-13H2;7H,2-4H2,1H3/q;+1