3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-(2-morpholin-4-ylethyl)propanamide; 3-phenylpropanoic acid

Systemtic Name: 3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-(2-morpholin-4-ylethyl)propanamide; 3-phenylpropanoic acid Openeye Name: 3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)-N-(2-morpholinoethyl)propanamide; 3-phenylpropanoic acid CAS Name: 3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-[2-(4-morpholinyl)ethyl]propanamide; 3-phenylpropanoic acid IUPAC Name: 3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-(2-morpholin-4-ylethyl)propanamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; 3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)-N-(2-morpholinoethyl)propionamide Formula: C20H30N3O6+ MolecularWeight: 408.4687

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)O1)CCC(=O)NCCN2CCOCC2.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

C[N+]1(C(=O)O1)CCC(=O)NCCN2CCOCC2.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C11H19N3O4.C9H10O2/c1-14(11(16)18-14)7-2-10(15)12-3-4-13-5-8-17-9-6-13;10-9(11)7-6-8-4-2-1-3-5-8/h2-9H2,1H3;1-5H,6-7H2,(H,10,11)/p+1