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

Systemtic Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone bromide CAS Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanone bromide IUPAC Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanone bromide Traditional Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone bromide Formula: C12H14BrN3O MolecularWeight: 296.16306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N3O.BrH/c1-2-15-10-14(9-13-15)8-12(16)11-6-4-3-5-7-11;/h3-7,9-10H,2,8H2,1H3;1H/q+1;/p-1