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

Systemtic Name: 1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Formula: C26H28FN5O+2 MolecularWeight: 445.531823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C26H26FN5O/c1-33-23-7-8-24(25(27)17-23)26-20(19-32(29-26)22-5-3-2-4-6-22)18-30-13-15-31(16-14-30)21-9-11-28-12-10-21/h2-12,17,19H,13-16,18H2,1H3/p+2