1-[(2-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C21H22F2N3+ MolecularWeight: 354.416286

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)C3=CC(=CC=C3)F)CC4=CC=CC=C4F

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)C3=CC(=CC=C3)F)CC4=CC=CC=C4F

InChI

InChI=1S/C21H21F2N3/c22-18-6-3-5-16(12-18)19-13-24-25-21(19)15-8-10-26(11-9-15)14-17-4-1-2-7-20(17)23/h1-7,12-13,15H,8-11,14H2,(H,24,25)/p+1