methyl 3-[(1-ethylpyridin-1-ium-4-yl)carbonylamino]benzoate iodide

Systemtic Name: methyl 3-[(1-ethylpyridin-1-ium-4-yl)carbonylamino]benzoate iodide Openeye Name: methyl 3-[(1-ethylpyridin-1-ium-4-carbonyl)amino]benzoate iodide CAS Name: 3-[[(1-ethyl-4-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid methyl ester iodide IUPAC Name: methyl 3-[(1-ethylpyridin-1-ium-4-carbonyl)amino]benzoate iodide Traditional Name: 3-[(1-ethylpyridin-1-ium-4-carbonyl)amino]benzoic acid methyl ester iodide Formula: C16H17IN2O3 MolecularWeight: 412.22225

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC.[I-]

InChI

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