ethyl 4-[2-(1-methylpiperidin-1-ium-1-yl)ethanoylamino]-2-oxidanyl-benzoate iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C[N+]2(CCCCC2)C)O.[I-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C[N+]2(CCCCC2)C)O.[I-]

InChI

InChI=1S/C17H24N2O4.HI/c1-3-23-17(22)14-8-7-13(11-15(14)20)18-16(21)12-19(2)9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3,(H-,18,20,21,22);1H