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

Systemtic Name: 1-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(4-chlorophenyl)-5-tetrazolyl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H18ClN6O2S2+ MolecularWeight: 425.93612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6O2S2/c17-13-3-5-14(6-4-13)23-15(18-19-20-23)12-21-7-9-22(10-8-21)27(24,25)16-2-1-11-26-16/h1-6,11H,7-10,12H2/p+1