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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[I-]

InChI

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