N-methyl-2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-phenethyl-ethanamide; 3-phenylpropanoic acid

Systemtic Name: N-methyl-2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-phenethyl-ethanamide; 3-phenylpropanoic acid Openeye Name: N-methyl-2-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)-N-phenethyl-acetamide; 3-phenylpropanoic acid CAS Name: N-methyl-2-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-phenethylacetamide; 3-phenylpropanoic acid IUPAC Name: N-methyl-2-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-phenethylacetamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; 2-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)-N-methyl-N-phenethyl-acetamide Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)C[N+]2(C(=O)O2)C.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C[N+]2(C(=O)O2)C.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C13H17N2O3.C9H10O2/c1-14(9-8-11-6-4-3-5-7-11)12(16)10-15(2)13(17)18-15;10-9(11)7-6-8-4-2-1-3-5-8/h3-7H,8-10H2,1-2H3;1-5H,6-7H2,(H,10,11)/q+1;