3-iodanyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-iodanyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-iodo-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-hydroxy-2-oxoacetate; 3-iodo-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 2-hydroxy-2-oxoacetate; 3-iodo-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 3-iodo-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide binoxalate Formula: C16H21IN2O5 MolecularWeight: 448.25281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC(=CC=C2)I.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC(=CC=C2)I.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H19IN2O.C2H2O4/c15-13-6-3-5-12(11-13)14(18)16-7-4-10-17-8-1-2-9-17;3-1(4)2(5)6/h3,5-6,11H,1-2,4,7-10H2,(H,16,18);(H,3,4)(H,5,6)