1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium CAS Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium Formula: C21H25FN4+2 MolecularWeight: 352.448403

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4/c22-20-8-6-18(7-9-20)21-19(14-23-24-21)16-26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2,(H,23,24)/p+2