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

Systemtic Name: 1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C26H33FN4O+2 MolecularWeight: 436.564823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)[NH+]4CCCC4)C5=CC=CC=C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)[NH+]4CCCC4)C5=CC=CC=C5)F

InChI

InChI=1S/C26H31FN4O/c1-32-23-9-10-24(25(27)17-23)26-20(19-31(28-26)22-7-3-2-4-8-22)18-29-15-11-21(12-16-29)30-13-5-6-14-30/h2-4,7-10,17,19,21H,5-6,11-16,18H2,1H3/p+2