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

Systemtic Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Openeye Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine CAS Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]-4-(2-fluorophenyl)piperazine IUPAC Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Traditional Name: 1-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Formula: C25H37FN5+ MolecularWeight: 426.593183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H36FN5/c26-23-10-4-5-11-24(23)31-15-13-30(14-16-31)22-9-6-12-29(19-22)18-21-17-27-28-25(21)20-7-2-1-3-8-20/h4-5,10-11,17,20,22H,1-3,6-9,12-16,18-19H2,(H,27,28)/p+1/t22-/m0/s1