1-(2,4-dichlorophenyl)-2-(4-phenacyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide

Systemtic Name: 1-(2,4-dichlorophenyl)-2-(4-phenacyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide Openeye Name: 1-(2,4-dichlorophenyl)-2-(4-phenacyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide CAS Name: 1-(2,4-dichlorophenyl)-2-(4-phenacyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide IUPAC Name: 1-(2,4-dichlorophenyl)-2-(4-phenacyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide Traditional Name: 1-(2,4-dichlorophenyl)-2-(4-phenacyl-1,2,4-triazol-4-ium-1-yl)ethanone bromide Formula: C18H14BrCl2N3O2 MolecularWeight: 455.13266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N3O2.BrH/c19-14-6-7-15(16(20)8-14)18(25)10-23-12-22(11-21-23)9-17(24)13-4-2-1-3-5-13;/h1-8,11-12H,9-10H2;1H/q+1;/p-1