2-[4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-1-yl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-1-yl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[4-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-1-yl]-1-(p-tolyl)ethanone CAS Name: 2-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-1-yl]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-1-yl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[4-[2-keto-2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-4-ium-1-yl]-1-(p-tolyl)ethanone Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N3O3/c1-15-3-5-16(6-4-15)20(25)12-23-14-22(13-21-23)11-19(24)17-7-9-18(26-2)10-8-17/h3-10,13-14H,11-12H2,1-2H3/q+1