1-(4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide

Systemtic Name: 1-(4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide Openeye Name: 1-(4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide CAS Name: 1-(4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)-2-propanone bromide IUPAC Name: 1-(4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide Traditional Name: 1-(4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetone bromide Formula: C19H18BrN3O2 MolecularWeight: 400.26912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(C=[N+]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(=O)CC1=NN(C=[N+]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18N3O2.BrH/c1-15(23)12-19-20-22(17-10-6-3-7-11-17)14-21(19)13-18(24)16-8-4-2-5-9-16;/h2-11,14H,12-13H2,1H3;1H/q+1;/p-1