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

Systemtic Name: 1-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[[1-(4-chlorophenyl)-5-tetrazolyl]methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-propylsulfonyl-piperazin-1-ium Formula: C15H22ClN6O2S+ MolecularWeight: 385.89218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN6O2S/c1-2-11-25(23,24)21-9-7-20(8-10-21)12-15-17-18-19-22(15)14-5-3-13(16)4-6-14/h3-6H,2,7-12H2,1H3/p+1