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

Systemtic Name: methyl 4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-2-oxidanyl-benzoate iodide Openeye Name: methyl 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 methyl ester iodide IUPAC Name: methyl 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 methyl ester iodide Formula: C16H23IN2O5 MolecularWeight: 450.26869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5.HI/c1-18(7-9-23-10-8-18)6-5-15(20)17-12-3-4-13(14(19)11-12)16(21)22-2;/h3-4,11H,5-10H2,1-2H3,(H-,17,19,20,21);1H