2-[3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxidanylidene-propyl]-2-methyl-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2-[3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxidanylidene-propyl]-2-methyl-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2-[3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxo-propyl]-2-methyl-oxaziridin-2-ium-3-one CAS Name: 2-[3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]-2-methyl-3-oxaziridin-2-iumone; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-[3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]-2-methyloxaziridin-2-ium-3-one Traditional Name: 2-[3-(3,6-dihydro-2H-pyridin-1-yl)-3-keto-propyl]-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropionic acid benzyl ester Formula: C26H31N2O5+ MolecularWeight: 451.53474

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)O1)CCC(=O)N2CCC=CC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(C(=O)O1)CCC(=O)N2CCC=CC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C10H15N2O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-12(10(14)15-12)8-5-9(13)11-6-3-2-4-7-11/h1-10H,11-13H2;2-3H,4-8H2,1H3/q;+1