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

Systemtic Name: ethyl 4-[2-(4-methylmorpholin-4-ium-4-yl)ethanoylamino]-2-oxidanyl-benzoate iodide Openeye Name: ethyl 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 ethyl ester iodide IUPAC Name: ethyl 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 ethyl ester iodide Formula: C16H23IN2O5 MolecularWeight: 450.26869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5.HI/c1-3-23-16(21)13-5-4-12(10-14(13)19)17-15(20)11-18(2)6-8-22-9-7-18;/h4-5,10H,3,6-9,11H2,1-2H3,(H-,17,19,20,21);1H