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

Systemtic Name: 1-[[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[[1-(4-fluorophenyl)-5-tetrazolyl]methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-4-mesyl-piperazin-1-ium Formula: C13H18FN6O2S+ MolecularWeight: 341.384423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C13H17FN6O2S/c1-23(21,22)19-8-6-18(7-9-19)10-13-15-16-17-20(13)12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3/p+1