ethyl 4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-2-oxidanyl-benzoate iodide

Systemtic Name: ethyl 4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-2-oxidanyl-benzoate iodide Openeye Name: ethyl 2-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]benzoate iodide CAS Name: 2-hydroxy-4-[[3-(4-methyl-4-morpholin-4-iumyl)-1-oxopropyl]amino]benzoic acid ethyl ester iodide IUPAC Name: ethyl 2-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]benzoate iodide Traditional Name: 2-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]benzoic acid ethyl ester iodide Formula: C17H25IN2O5 MolecularWeight: 464.29527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CC[N+]2(CCOCC2)C)O.[I-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CC[N+]2(CCOCC2)C)O.[I-]

InChI

InChI=1S/C17H24N2O5.HI/c1-3-24-17(22)14-5-4-13(12-15(14)20)18-16(21)6-7-19(2)8-10-23-11-9-19;/h4-5,12H,3,6-11H2,1-2H3,(H-,18,20,21,22);1H