2-[1-ethyl-4-(4-fluorophenyl)-5-pyridin-4-yl-pyrazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-4-(4-fluorophenyl)-5-pyridin-4-yl-pyrazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-ethyl-4-(4-fluorophenyl)-5-(4-pyridyl)pyrazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-ethyl-4-(4-fluorophenyl)-5-pyridin-4-yl-1-pyrazol-1-iumyl]acetic acid IUPAC Name: 2-[1-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-ethyl-4-(4-fluorophenyl)-5-(4-pyridyl)pyrazol-1-ium-1-yl]acetic acid Formula: C18H17FN3O2+ MolecularWeight: 326.344883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O2/c1-2-22(12-17(23)24)18(14-7-9-20-10-8-14)16(11-21-22)13-3-5-15(19)6-4-13/h3-11H,2,12H2,1H3/p+1