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

Systemtic Name: 1-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(4-chlorophenyl)-5-tetrazolyl]methyl]-4-(3-pyridinylsulfonyl)piperazin-1-ium IUPAC Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazin-1-ium Traditional Name: 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium Formula: C17H19ClN7O2S+ MolecularWeight: 420.89646

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN7O2S/c18-14-3-5-15(6-4-14)25-17(20-21-22-25)13-23-8-10-24(11-9-23)28(26,27)16-2-1-7-19-12-16/h1-7,12H,8-11,13H2/p+1