2-(1-ethyl-4,5-dipyridin-2-yl-pyrazol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(1-ethyl-4,5-dipyridin-2-yl-pyrazol-1-ium-1-yl)ethanoate Openeye Name: 2-[1-ethyl-4,5-bis(2-pyridyl)pyrazol-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4,5-bis(2-pyridinyl)-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-(1-ethyl-4,5-dipyridin-2-ylpyrazol-1-ium-1-yl)acetate Traditional Name: 2-[1-ethyl-4,5-bis(2-pyridyl)pyrazol-1-ium-1-yl]acetate Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CC=CC=N3)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CC=CC=N3)CC(=O)[O-]

InChI

InChI=1S/C17H16N4O2/c1-2-21(12-16(22)23)17(15-8-4-6-10-19-15)13(11-20-21)14-7-3-5-9-18-14/h3-11H,2,12H2,1H3