N,N-diethyl-2-[4-(2-fluoranylpyridin-4-yl)-3-(4-fluorophenyl)-4H-pyrazol-1-ium-1-yl]ethanamine

Systemtic Name: N,N-diethyl-2-[4-(2-fluoranylpyridin-4-yl)-3-(4-fluorophenyl)-4H-pyrazol-1-ium-1-yl]ethanamine Openeye Name: N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridyl)-4H-pyrazol-1-ium-1-yl]ethanamine CAS Name: N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-4H-pyrazol-1-ium-1-yl]ethanamine IUPAC Name: N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoropyridin-4-yl)-4H-pyrazol-1-ium-1-yl]ethanamine Traditional Name: diethyl-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridyl)-4H-pyrazol-1-ium-1-yl]ethyl]amine Formula: C20H23F2N4+ MolecularWeight: 357.420226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F2N4/c1-3-25(4-2)11-12-26-14-18(16-9-10-23-19(22)13-16)20(24-26)15-5-7-17(21)8-6-15/h5-10,13-14,18H,3-4,11-12H2,1-2H3/q+1