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

Systemtic Name: N-methyl-3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-phenyl-propanamide; 3-phenylpropanoic acid Openeye Name: N-methyl-3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)-N-phenyl-propanamide; 3-phenylpropanoic acid CAS Name: N-methyl-3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-phenylpropanamide; 3-phenylpropanoic acid IUPAC Name: N-methyl-3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-phenylpropanamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; 3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)-N-methyl-N-phenyl-propionamide Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N2O3.C9H10O2/c1-13(10-6-4-3-5-7-10)11(15)8-9-14(2)12(16)17-14;10-9(11)7-6-8-4-2-1-3-5-8/h3-7H,8-9H2,1-2H3;1-5H,6-7H2,(H,10,11)/q+1;