1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(N=C2)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(N=C2)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C18H18N3O3.BrH/c1-23-16-7-3-14(4-8-16)18(22)11-20-12-19-21(13-20)15-5-9-17(24-2)10-6-15;/h3-10,12-13H,11H2,1-2H3;1H/q+1;/p-1