N-methyl-5-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-propan-2-yl-pentanamide; 3-phenylpropanoic acid

Systemtic Name: N-methyl-5-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-propan-2-yl-pentanamide; 3-phenylpropanoic acid Openeye Name: N-isopropyl-N-methyl-5-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)pentanamide; 3-phenylpropanoic acid CAS Name: N-methyl-5-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-propan-2-ylpentanamide; 3-phenylpropanoic acid IUPAC Name: N-methyl-5-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-propan-2-ylpentanamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; N-isopropyl-5-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)-N-methyl-valeramide Formula: C20H31N2O5+ MolecularWeight: 379.47054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N2O3.C9H10O2/c1-9(2)12(3)10(14)7-5-6-8-13(4)11(15)16-13;10-9(11)7-6-8-4-2-1-3-5-8/h9H,5-8H2,1-4H3;1-5H,6-7H2,(H,10,11)/q+1;