2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazole iodide

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazole iodide Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazole iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-5-(4-phenyl-1-piperazinyl)-1,3,4-oxadiazole iodide IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazole iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-5-(4-phenylpiperazino)-1,3,4-oxadiazole iodide Formula: C18H20IN5O MolecularWeight: 449.28877

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NN=C(O2)N3CCN(CC3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NN=C(O2)N3CCN(CC3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C18H20N5O.HI/c1-21-9-7-15(8-10-21)17-19-20-18(24-17)23-13-11-22(12-14-23)16-5-3-2-4-6-16;/h2-10H,11-14H2,1H3;1H/q+1;/p-1