3-(1-methylpyridin-1-ium-2-yl)-N-[4-(phenylcarbonyl)phenyl]-4,5-dihydro-1,2-oxazole-4-carboxamide iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)-N-[4-(phenylcarbonyl)phenyl]-4,5-dihydro-1,2-oxazole-4-carboxamide iodide Openeye Name: N-(4-benzoylphenyl)-3-(1-methylpyridin-1-ium-2-yl)-4,5-dihydroisoxazole-4-carboxamide iodide CAS Name: N-(4-benzoylphenyl)-3-(1-methyl-2-pyridin-1-iumyl)-4,5-dihydroisoxazole-4-carboxamide iodide IUPAC Name: N-(4-benzoylphenyl)-3-(1-methylpyridin-1-ium-2-yl)-4,5-dihydro-1,2-oxazole-4-carboxamide iodide Traditional Name: N-(4-benzoylphenyl)-3-(1-methylpyridin-1-ium-2-yl)-2-isoxazoline-4-carboxamide iodide Formula: C23H20IN3O3 MolecularWeight: 513.32767

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=NOCC2C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2=NOCC2C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H19N3O3.HI/c1-26-14-6-5-9-20(26)21-19(15-29-25-21)23(28)24-18-12-10-17(11-13-18)22(27)16-7-3-2-4-8-16;/h2-14,19H,15H2,1H3;1H