ethyl 4-[(1-methylpyridin-1-ium-4-yl)carbonylamino]benzoate iodide

Systemtic Name: ethyl 4-[(1-methylpyridin-1-ium-4-yl)carbonylamino]benzoate iodide Openeye Name: ethyl 4-[(1-methylpyridin-1-ium-4-carbonyl)amino]benzoate iodide CAS Name: 4-[[(1-methyl-4-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid ethyl ester iodide IUPAC Name: ethyl 4-[(1-methylpyridin-1-ium-4-carbonyl)amino]benzoate iodide Traditional Name: 4-[(1-methylpyridin-1-ium-4-carbonyl)amino]benzoic acid ethyl ester iodide Formula: C16H17IN2O3 MolecularWeight: 412.22225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C16H16N2O3.HI/c1-3-21-16(20)13-4-6-14(7-5-13)17-15(19)12-8-10-18(2)11-9-12;/h4-11H,3H2,1-2H3;1H