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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone Openeye Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone CAS Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone Traditional Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-(4-methoxyphenyl)ethanone Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N3O2/c1-14-20-22(17-7-5-4-6-8-17)15(2)21(14)13-19(23)16-9-11-18(24-3)12-10-16/h4-12H,13H2,1-3H3/q+1