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

Systemtic Name: 3-[4-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-[4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propionamide Formula: C24H29FN5O2+ MolecularWeight: 438.517763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28FN5O2/c1-32-20-7-8-21(22(25)15-20)24-18(17-30(27-24)19-5-3-2-4-6-19)16-29-13-11-28(12-14-29)10-9-23(26)31/h2-8,15,17H,9-14,16H2,1H3,(H2,26,31)/p+1