methanesulfonate; 2-(4-methoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole

Systemtic Name: methanesulfonate; 2-(4-methoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole Openeye Name: methanesulfonate; 2-(4-methoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole CAS Name: methanesulfonate; 2-(4-methoxyphenyl)-5-(1-methyl-4-pyridin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: methanesulfonate; 2-(4-methoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole Traditional Name: 2-(4-methoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole mesylate Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)OC.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H14N3O2.CH4O3S/c1-18-9-7-12(8-10-18)15-17-16-14(20-15)11-3-5-13(19-2)6-4-11;1-5(2,3)4/h3-10H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1