2-ethyl-2-(2-hydroxyethyl)-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid

Systemtic Name: 2-ethyl-2-(2-hydroxyethyl)-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid Openeye Name: 2-ethyl-2-(2-hydroxyethyl)oxaziridin-2-ium-3-one; 3-phenylpropanoic acid CAS Name: 2-ethyl-2-(2-hydroxyethyl)-3-oxaziridin-2-iumone; 3-phenylpropanoic acid IUPAC Name: 2-ethyl-2-(2-hydroxyethyl)oxaziridin-2-ium-3-one; 3-phenylpropanoic acid Traditional Name: 2-ethyl-2-(2-hydroxyethyl)oxaziridin-2-ium-3-one; hydrocinnamic acid Formula: C14H20NO5+ MolecularWeight: 282.3123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2.C5H10NO3/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-6(3-4-7)5(8)9-6/h1-5H,6-7H2,(H,10,11);7H,2-4H2,1H3/q;+1