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

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C26H33FN5+ MolecularWeight: 434.572123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C26H32FN5/c1-29-18-22(26(28-29)21-8-3-2-4-9-21)19-30-13-7-10-23(20-30)31-14-16-32(17-15-31)25-12-6-5-11-24(25)27/h2-6,8-9,11-12,18,23H,7,10,13-17,19-20H2,1H3/p+1/t23-/m0/s1