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

Systemtic Name: 1-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(3-fluorophenyl)-5-tetrazolyl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H18FN6O2S2+ MolecularWeight: 409.481523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC(=CC=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC(=CC=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17FN6O2S2/c17-13-3-1-4-14(11-13)23-15(18-19-20-23)12-21-6-8-22(9-7-21)27(24,25)16-5-2-10-26-16/h1-5,10-11H,6-9,12H2/p+1