N,3-dimethyl-N-[2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethyl]butanamide; 3-phenylpropanoic acid

Systemtic Name: N,3-dimethyl-N-[2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethyl]butanamide; 3-phenylpropanoic acid Openeye Name: N,3-dimethyl-N-[2-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)ethyl]butanamide; 3-phenylpropanoic acid CAS Name: N,3-dimethyl-N-[2-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)ethyl]butanamide; 3-phenylpropanoic acid IUPAC Name: N,3-dimethyl-N-[2-(2-methyl-3-oxooxaziridin-2-ium-2-yl)ethyl]butanamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; N-[2-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)ethyl]-N,3-dimethyl-butyramide Formula: C19H29N2O5+ MolecularWeight: 365.44396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19N2O3.C9H10O2/c1-8(2)7-9(13)11(3)5-6-12(4)10(14)15-12;10-9(11)7-6-8-4-2-1-3-5-8/h8H,5-7H2,1-4H3;1-5H,6-7H2,(H,10,11)/q+1;