2-methyl-2-(4-morpholin-4-yl-4-oxidanylidene-butyl)-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid

Systemtic Name: 2-methyl-2-(4-morpholin-4-yl-4-oxidanylidene-butyl)-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid Openeye Name: 2-methyl-2-(4-morpholino-4-oxo-butyl)oxaziridin-2-ium-3-one; 3-phenylpropanoic acid CAS Name: 2-methyl-2-[4-(4-morpholinyl)-4-oxobutyl]-3-oxaziridin-2-iumone; 3-phenylpropanoic acid IUPAC Name: 2-methyl-2-(4-morpholin-4-yl-4-oxobutyl)oxaziridin-2-ium-3-one; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; 2-(4-keto-4-morpholino-butyl)-2-methyl-oxaziridin-2-ium-3-one Formula: C19H27N2O6+ MolecularWeight: 379.42748

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)O1)CCCC(=O)N2CCOCC2.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

C[N+]1(C(=O)O1)CCCC(=O)N2CCOCC2.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C10H17N2O4.C9H10O2/c1-12(10(14)16-12)6-2-3-9(13)11-4-7-15-8-5-11;10-9(11)7-6-8-4-2-1-3-5-8/h2-8H2,1H3;1-5H,6-7H2,(H,10,11)/q+1;