benzenesulfonate; 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole

Systemtic Name: benzenesulfonate; 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole Openeye Name: benzenesulfonate; 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole CAS Name: benzenesulfonate; 2-(4-butoxyphenyl)-5-(1-methyl-4-pyridin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: benzenesulfonate; 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole Traditional Name: 2-(4-butoxyphenyl)-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole besylate Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=[N+](C=C3)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=[N+](C=C3)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H20N3O2.C6H6O3S/c1-3-4-13-22-16-7-5-14(6-8-16)17-19-20-18(23-17)15-9-11-21(2)12-10-15;7-10(8,9)6-4-2-1-3-5-6/h5-12H,3-4,13H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1