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

Systemtic Name: 3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-propan-2-yl-propanamide; 3-phenylpropanoic acid Openeye Name: N-isopropyl-3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)propanamide; 3-phenylpropanoic acid CAS Name: 3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-propan-2-ylpropanamide; 3-phenylpropanoic acid IUPAC Name: 3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-propan-2-ylpropanamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; N-isopropyl-3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)propionamide Formula: C17H25N2O5+ MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2.C8H14N2O3/c10-9(11)7-6-8-4-2-1-3-5-8;1-6(2)9-7(11)4-5-10(3)8(12)13-10/h1-5H,6-7H2,(H,10,11);6H,4-5H2,1-3H3/p+1