4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium

Systemtic Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium Openeye Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium CAS Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(1-methyl-4-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium Traditional Name: 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium Formula: C20H29FN4+2 MolecularWeight: 344.469463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H27FN4/c1-24-9-7-18(8-10-24)25-11-5-15(6-12-25)20-19(14-22-23-20)16-3-2-4-17(21)13-16/h2-4,13-15,18H,5-12H2,1H3,(H,22,23)/p+2