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

Systemtic Name: 1-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[[1-(3-fluorophenyl)-5-tetrazolyl]methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium Formula: C15H22FN6O2S+ MolecularWeight: 369.437583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN6O2S/c1-2-10-25(23,24)21-8-6-20(7-9-21)12-15-17-18-19-22(15)14-5-3-4-13(16)11-14/h3-5,11H,2,6-10,12H2,1H3/p+1