1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: 1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-[(2,3-difluorophenyl)methyl]-4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: 1-[(2,3-difluorophenyl)methyl]-4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 1-(2,3-difluorobenzyl)-4-(4-phenyl-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)CC4=C(C(=CC=C4)F)F

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)C3=CC=CC=C3)CC4=C(C(=CC=C4)F)F

InChI

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