2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 2-propoxyethyl but-2-ynoate

Systemtic Name: 2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; 2-propoxyethyl but-2-ynoate Openeye Name: 2,2-dimethyloxaziridin-2-ium-3-one; 2-propoxyethyl but-2-ynoate CAS Name: 2-butynoic acid 2-propoxyethyl ester; 2,2-dimethyl-3-oxaziridin-2-iumone IUPAC Name: 2,2-dimethyloxaziridin-2-ium-3-one; 2-propoxyethyl but-2-ynoate Traditional Name: but-2-ynoic acid 2-propoxyethyl ester; 2,2-dimethyloxaziridin-2-ium-3-one Formula: C12H20NO5+ MolecularWeight: 258.2909

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC(=O)C#CC.C[N+]1(C(=O)O1)C

Isomeric SMILES

CCCOCCOC(=O)C#CC.C[N+]1(C(=O)O1)C

InChI

InChI=1S/C9H14O3.C3H6NO2/c1-3-5-9(10)12-8-7-11-6-4-2;1-4(2)3(5)6-4/h4,6-8H2,1-2H3;1-2H3/q;+1