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

Systemtic Name: 1-[[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[[5-(4-fluorophenyl)-2-tetrazolyl]methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-[[5-(4-fluorophenyl)tetrazol-2-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)CN2N=C(N=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CN2N=C(N=N2)C3=CC=C(C=C3)F

InChI

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