1-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide

Systemtic Name: 1-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide Openeye Name: 1-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide CAS Name: 1-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)-2-propanone bromide IUPAC Name: 1-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)propan-2-one bromide Traditional Name: 1-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetone bromide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C2=CC=CC=C2)CC(=O)C)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C(=NN1C2=CC=CC=C2)CC(=O)C)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H20N3O2.BrH/c1-15(24)13-20-21-23(18-11-7-4-8-12-18)16(2)22(20)14-19(25)17-9-5-3-6-10-17;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1