2-[1-ethyl-4-(3-methylphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-4-(3-methylphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-4-(m-tolyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4-(3-methylphenyl)-5-phenyl-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-[1-ethyl-4-(3-methylphenyl)-5-phenylpyrazol-1-ium-1-yl]acetate Traditional Name: 2-[1-ethyl-4-(m-tolyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate Formula: C20H20N2O2 MolecularWeight: 320.385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C=N1)C2=CC(=CC=C2)C)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=C(C=N1)C2=CC(=CC=C2)C)C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C20H20N2O2/c1-3-22(14-19(23)24)20(16-9-5-4-6-10-16)18(13-21-22)17-11-7-8-15(2)12-17/h4-13H,3,14H2,1-2H3