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

Systemtic Name: 1-(4-methoxyphenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide Openeye Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide IUPAC Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(N=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(N=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H18N3O2.BrH/c1-23-17-9-7-16(8-10-17)18(22)12-20-13-19-21(14-20)11-15-5-3-2-4-6-15;/h2-10,13-14H,11-12H2,1H3;1H/q+1;/p-1