5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxylate

Systemtic Name: 5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxylate Openeye Name: 5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxylate CAS Name: 5-(4-morpholin-4-iumylmethyl)-3-isoxazolecarboxylate IUPAC Name: 5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxylate Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=NO2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=NO2)C(=O)[O-]

InChI

InChI=1S/C9H12N2O4/c12-9(13)8-5-7(15-10-8)6-11-1-3-14-4-2-11/h5H,1-4,6H2,(H,12,13)