1-(2-fluorophenyl)-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-(4-pyrazol-1-ylbenzyl)-3-piperidyl]piperazin-4-ium Formula: C25H31FN5+ MolecularWeight: 420.545543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H30FN5/c26-24-6-1-2-7-25(24)30-17-15-29(16-18-30)23-5-3-13-28(20-23)19-21-8-10-22(11-9-21)31-14-4-12-27-31/h1-2,4,6-12,14,23H,3,5,13,15-20H2/p+1/t23-/m0/s1