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

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl benzoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl benzoate iodide CAS Name: benzoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl benzoate iodide Traditional Name: benzoic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C16H17IN2O3 MolecularWeight: 412.22225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3.HI/c1-18-10-5-8-14(12-18)15(19)17-9-11-21-16(20)13-6-3-2-4-7-13;/h2-8,10,12H,9,11H2,1H3;1H