1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium

Systemtic Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium Openeye Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)piperazin-1-ium CAS Name: 1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-(3-pyridinylmethyl)piperazin-1-ium IUPAC Name: 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium Traditional Name: 1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)piperazin-1-ium Formula: C21H25FN5+ MolecularWeight: 366.455103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H24FN5/c1-25-15-18(21(24-25)19-6-2-3-7-20(19)22)16-27-11-9-26(10-12-27)14-17-5-4-8-23-13-17/h2-8,13,15H,9-12,14,16H2,1H3/p+1