2-(1-ethyl-5-phenyl-4-pyridin-2-yl-pyrazol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(1-ethyl-5-phenyl-4-pyridin-2-yl-pyrazol-1-ium-1-yl)ethanoate Openeye Name: 2-[1-ethyl-5-phenyl-4-(2-pyridyl)pyrazol-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-5-phenyl-4-(2-pyridinyl)-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-(1-ethyl-5-phenyl-4-pyridin-2-ylpyrazol-1-ium-1-yl)acetate Traditional Name: 2-[1-ethyl-5-phenyl-4-(2-pyridyl)pyrazol-1-ium-1-yl]acetate Formula: C18H17N3O2 MolecularWeight: 307.34648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C18H17N3O2/c1-2-21(13-17(22)23)18(14-8-4-3-5-9-14)15(12-20-21)16-10-6-7-11-19-16/h3-12H,2,13H2,1H3