1-(2-fluorophenyl)-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C25H31FN5+ MolecularWeight: 420.545543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5F

InChI

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