3-iodanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-iodanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-iodo-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 2-hydroxy-2-oxoacetate; 3-iodo-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 2-hydroxy-2-oxoacetate; 3-iodo-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-iodo-N-(3-morpholin-4-ium-4-ylpropyl)benzamide binoxalate Formula: C16H21IN2O6 MolecularWeight: 464.25221

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)I.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)I.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H19IN2O2.C2H2O4/c15-13-4-1-3-12(11-13)14(18)16-5-2-6-17-7-9-19-10-8-17;3-1(4)2(5)6/h1,3-4,11H,2,5-10H2,(H,16,18);(H,3,4)(H,5,6)