methyl 4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-2-oxidanyl-benzoate iodide

Systemtic Name: methyl 4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-2-oxidanyl-benzoate iodide Openeye Name: methyl 2-hydroxy-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoate iodide CAS Name: 2-hydroxy-4-[[3-(1-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]benzoic acid methyl ester iodide IUPAC Name: methyl 2-hydroxy-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoate iodide Traditional Name: 2-hydroxy-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]benzoic acid methyl ester iodide Formula: C17H25IN2O4 MolecularWeight: 448.29587

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(=O)NC2=CC(=C(C=C2)C(=O)OC)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCC(=O)NC2=CC(=C(C=C2)C(=O)OC)O.[I-]

InChI

InChI=1S/C17H24N2O4.HI/c1-19(9-4-3-5-10-19)11-8-16(21)18-13-6-7-14(15(20)12-13)17(22)23-2;/h6-7,12H,3-5,8-11H2,1-2H3,(H-,18,20,21,22);1H