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

Systemtic Name: methyl 4-[(1-methylpyridin-1-ium-4-yl)carbonylamino]benzoate iodide Openeye Name: methyl 4-[(1-methylpyridin-1-ium-4-carbonyl)amino]benzoate iodide CAS Name: 4-[[(1-methyl-4-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid methyl ester iodide IUPAC Name: methyl 4-[(1-methylpyridin-1-ium-4-carbonyl)amino]benzoate iodide Traditional Name: 4-[(1-methylpyridin-1-ium-4-carbonyl)amino]benzoic acid methyl ester iodide Formula: C15H15IN2O3 MolecularWeight: 398.19567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3.HI/c1-17-9-7-11(8-10-17)14(18)16-13-5-3-12(4-6-13)15(19)20-2;/h3-10H,1-2H3;1H