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

Systemtic Name: methyl 4-[2-(1-methylpiperidin-1-ium-1-yl)ethanoylamino]-2-oxidanyl-benzoate iodide Openeye Name: methyl 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 methyl ester iodide IUPAC Name: methyl 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 methyl ester iodide Formula: C16H23IN2O4 MolecularWeight: 434.26929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4.HI/c1-18(8-4-3-5-9-18)11-15(20)17-12-6-7-13(14(19)10-12)16(21)22-2;/h6-7,10H,3-5,8-9,11H2,1-2H3,(H-,17,19,20,21);1H