5-methyl-2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide

Systemtic Name: 5-methyl-2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide Openeye Name: 5-methyl-2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide CAS Name: 5-methyl-2-(1-methyl-3-pyridin-1-iumyl)-1,3-benzoxazole iodide IUPAC Name: 5-methyl-2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide Traditional Name: 5-methyl-2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide Formula: C14H13IN2O MolecularWeight: 352.17029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C14H13N2O.HI/c1-10-5-6-13-12(8-10)15-14(17-13)11-4-3-7-16(2)9-11;/h3-9H,1-2H3;1H/q+1;/p-1