2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; N-methyl-N-phenethyl-methanamide; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; N-methyl-N-phenethyl-methanamide; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2,2-dimethyloxaziridin-2-ium-3-one; N-methyl-N-phenethyl-formamide CAS Name: 2,2-dimethyl-3-oxaziridin-2-iumone; N-methyl-N-phenethylformamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2,2-dimethyloxaziridin-2-ium-3-one; N-methyl-N-phenethylformamide Traditional Name: 2,2-dimethyloxaziridin-2-ium-3-one; N-methyl-N-phenethyl-formamide; 3-phenylpropionic acid benzyl ester Formula: C29H35N2O5+ MolecularWeight: 491.5986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C=O.C[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(CCC1=CC=CC=C1)C=O.C[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C10H13NO.C3H6NO2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-11(9-12)8-7-10-5-3-2-4-6-10;1-4(2)3(5)6-4/h1-10H,11-13H2;2-6,9H,7-8H2,1H3;1-2H3/q;;+1