2-[4-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Formula: C23H28FN4O2+ MolecularWeight: 411.492423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)CCO)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)CCO)C4=CC=CC=C4)F

InChI

InChI=1S/C23H27FN4O2/c1-30-20-7-8-21(22(24)15-20)23-18(16-27-11-9-26(10-12-27)13-14-29)17-28(25-23)19-5-3-2-4-6-19/h2-8,15,17,29H,9-14,16H2,1H3/p+1