1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23FN4O2/c23-19-4-2-17(3-5-19)22-18(12-24-25-22)14-27-9-7-26(8-10-27)13-16-1-6-20-21(11-16)29-15-28-20/h1-6,11-12H,7-10,13-15H2,(H,24,25)/p+1