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

Systemtic Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone Openeye Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone CAS Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanone IUPAC Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanone Traditional Name: 2-(1-ethyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone Formula: C12H14N3O+ MolecularWeight: 216.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N3O/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/q+1