2,2-dicyclohexyl-1,2-oxaziridin-2-ium-3-one; ethyl but-2-ynoate

Systemtic Name: 2,2-dicyclohexyl-1,2-oxaziridin-2-ium-3-one; ethyl but-2-ynoate Openeye Name: 2,2-dicyclohexyloxaziridin-2-ium-3-one; ethyl but-2-ynoate CAS Name: 2-butynoic acid ethyl ester; 2,2-dicyclohexyl-3-oxaziridin-2-iumone IUPAC Name: 2,2-dicyclohexyloxaziridin-2-ium-3-one; ethyl but-2-ynoate Traditional Name: but-2-ynoic acid ethyl ester; 2,2-dicyclohexyloxaziridin-2-ium-3-one Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC.C1CCC(CC1)[N+]2(C(=O)O2)C3CCCCC3

Isomeric SMILES

CCOC(=O)C#CC.C1CCC(CC1)[N+]2(C(=O)O2)C3CCCCC3

InChI

InChI=1S/C13H22NO2.C6H8O2/c15-13-14(16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-6(7)8-4-2/h11-12H,1-10H2;4H2,1-2H3/q+1;