3-[(4-methoxyphenyl)methoxy]-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole iodide

Systemtic Name: 3-[(4-methoxyphenyl)methoxy]-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole iodide Openeye Name: 3-[(4-methoxyphenyl)methoxy]-5-(1-methylpyridin-1-ium-4-yl)isoxazole iodide CAS Name: 3-[(4-methoxyphenyl)methoxy]-5-(1-methyl-4-pyridin-1-iumyl)isoxazole iodide IUPAC Name: 3-[(4-methoxyphenyl)methoxy]-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole iodide Traditional Name: 5-(1-methylpyridin-1-ium-4-yl)-3-p-anisyloxy-isoxazole iodide Formula: C17H17IN2O3 MolecularWeight: 424.23295

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC(=NO2)OCC3=CC=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC(=NO2)OCC3=CC=C(C=C3)OC.[I-]

InChI

InChI=1S/C17H17N2O3.HI/c1-19-9-7-14(8-10-19)16-11-17(18-22-16)21-12-13-3-5-15(20-2)6-4-13;/h3-11H,12H2,1-2H3;1H/q+1;/p-1