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

Systemtic Name: 1-phenyl-2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Openeye Name: 1-phenyl-2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone CAS Name: 1-phenyl-2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone IUPAC Name: 1-phenyl-2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Traditional Name: 1-phenyl-2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Formula: C16H14N3O+ MolecularWeight: 264.30186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C=[N+](C=N2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C=[N+](C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N3O/c20-16(14-7-3-1-4-8-14)11-19-13-18(12-17-19)15-9-5-2-6-10-15/h1-10,12-13H,11H2/q+1