2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 4-fluoranylbenzoate iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 4-fluoranylbenzoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 4-fluorobenzoate iodide CAS Name: 4-fluorobenzoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 4-fluorobenzoate iodide Traditional Name: 4-fluorobenzoic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C16H16FIN2O3 MolecularWeight: 430.212713

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)F.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)F.[I-]

InChI

InChI=1S/C16H15FN2O3.HI/c1-19-9-2-3-13(11-19)15(20)18-8-10-22-16(21)12-4-6-14(17)7-5-12;/h2-7,9,11H,8,10H2,1H3;1H