2-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-1,2-oxaziridin-2-ium-3-one; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 2-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]oxaziridin-2-ium-3-one CAS Name: 2-methyl-2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-3-oxaziridin-2-iumone; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]oxaziridin-2-ium-3-one Traditional Name: 2-[3-keto-3-(4-methylpiperazino)propyl]-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropionic acid benzyl ester Formula: C26H34N3O5+ MolecularWeight: 468.56526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC[N+]2(C(=O)O2)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN1CCN(CC1)C(=O)CC[N+]2(C(=O)O2)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C10H18N3O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-11-4-6-12(7-5-11)9(14)3-8-13(2)10(15)16-13/h1-10H,11-13H2;3-8H2,1-2H3/q;+1