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

Systemtic Name: 1-phenyl-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone Openeye Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone CAS Name: 1-phenyl-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone IUPAC Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanone Traditional Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone Formula: C17H16N3O+ MolecularWeight: 278.32844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N3O/c21-17(16-9-5-2-6-10-16)12-19-13-18-20(14-19)11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2/q+1