methyl 4-[2-(4-methylmorpholin-4-ium-4-yl)ethanoylamino]-2-oxidanyl-benzoate iodide

Systemtic Name: methyl 4-[2-(4-methylmorpholin-4-ium-4-yl)ethanoylamino]-2-oxidanyl-benzoate iodide Openeye Name: methyl 2-hydroxy-4-[[2-(4-methylmorpholin-4-ium-4-yl)acetyl]amino]benzoate iodide CAS Name: 2-hydroxy-4-[[2-(4-methyl-4-morpholin-4-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester iodide IUPAC Name: methyl 2-hydroxy-4-[[2-(4-methylmorpholin-4-ium-4-yl)acetyl]amino]benzoate iodide Traditional Name: 2-hydroxy-4-[[2-(4-methylmorpholin-4-ium-4-yl)acetyl]amino]benzoic acid methyl ester iodide Formula: C15H21IN2O5 MolecularWeight: 436.24211

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC(=O)NC2=CC(=C(C=C2)C(=O)OC)O.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CC(=O)NC2=CC(=C(C=C2)C(=O)OC)O.[I-]

InChI

InChI=1S/C15H20N2O5.HI/c1-17(5-7-22-8-6-17)10-14(19)16-11-3-4-12(13(18)9-11)15(20)21-2;/h3-4,9H,5-8,10H2,1-2H3,(H-,16,18,19,20);1H