2-(1-ethyl-4-phenyl-5-pyridin-3-yl-pyrazol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(1-ethyl-4-phenyl-5-pyridin-3-yl-pyrazol-1-ium-1-yl)ethanoate Openeye Name: 2-[1-ethyl-4-phenyl-5-(3-pyridyl)pyrazol-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4-phenyl-5-(3-pyridinyl)-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-(1-ethyl-4-phenyl-5-pyridin-3-ylpyrazol-1-ium-1-yl)acetate Traditional Name: 2-[1-ethyl-4-phenyl-5-(3-pyridyl)pyrazol-1-ium-1-yl]acetate Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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