1-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(3-fluorophenyl)-5-tetrazolyl]methyl]-4-(3-pyridinylsulfonyl)piperazin-1-ium IUPAC Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium Formula: C17H19FN7O2S+ MolecularWeight: 404.441863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC(=CC=C3)F)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC(=CC=C3)F)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C17H18FN7O2S/c18-14-3-1-4-15(11-14)25-17(20-21-22-25)13-23-7-9-24(10-8-23)28(26,27)16-5-2-6-19-12-16/h1-6,11-12H,7-10,13H2/p+1