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

Systemtic Name: (3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium Openeye Name: (3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium CAS Name: (3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium IUPAC Name: (3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium Traditional Name: (3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium Formula: C18H21FN5+ MolecularWeight: 326.391243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)C3=C(C=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)C3=C(C=NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H20FN5/c19-15-5-3-13(4-6-15)17-10-21-23-18(17)14-2-1-9-24(11-14)12-16-7-8-20-22-16/h3-8,10,14H,1-2,9,11-12H2,(H,20,22)(H,21,23)/p+1/t14-/m0/s1