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

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-1-yl]-1-phenylethanone bromide IUPAC Name: 2-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-[2-keto-2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-4-ium-1-yl]-1-phenyl-ethanone bromide Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N3O3.BrH/c1-25-17-9-7-16(8-10-17)18(23)11-21-13-20-22(14-21)12-19(24)15-5-3-2-4-6-15;/h2-10,13-14H,11-12H2,1H3;1H/q+1;/p-1