2-methyl-2-(5-methyl-2-oxidanylidene-hexyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2-methyl-2-(5-methyl-2-oxidanylidene-hexyl)-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2-methyl-2-(5-methyl-2-oxo-hexyl)oxaziridin-2-ium-3-one CAS Name: 2-methyl-2-(5-methyl-2-oxohexyl)-3-oxaziridin-2-iumone; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-methyl-2-(5-methyl-2-oxohexyl)oxaziridin-2-ium-3-one Traditional Name: 2-(2-keto-5-methyl-hexyl)-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropionic acid benzyl ester Formula: C25H32NO5+ MolecularWeight: 426.52528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C9H16NO3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-7(2)4-5-8(11)6-10(3)9(12)13-10/h1-10H,11-13H2;7H,4-6H2,1-3H3/q;+1