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

Systemtic Name: 1-(2,4-dichlorophenyl)-2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)ethanone bromide Openeye Name: 1-(2,4-dichlorophenyl)-2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)ethanone bromide CAS Name: 1-(2,4-dichlorophenyl)-2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)ethanone bromide IUPAC Name: 1-(2,4-dichlorophenyl)-2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)ethanone bromide Traditional Name: 1-(2,4-dichlorophenyl)-2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)ethanone bromide Formula: C12H12BrCl2N3O MolecularWeight: 365.05318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C=N1)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-]

Isomeric SMILES

CCN1C=[N+](C=N1)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-]

InChI

InChI=1S/C12H12Cl2N3O.BrH/c1-2-17-8-16(7-15-17)6-12(18)10-4-3-9(13)5-11(10)14;/h3-5,7-8H,2,6H2,1H3;1H/q+1;/p-1