2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone Openeye Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone CAS Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanone IUPAC Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-phenylethanone Traditional Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-ethanone Formula: C18H18N3O+ MolecularWeight: 292.35502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N3O/c1-14-19-21(17-11-7-4-8-12-17)15(2)20(14)13-18(22)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3/q+1