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

Systemtic Name: 1-methylsulfonyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-methylsulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-methylsulfonyl-4-[(1-phenyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-mesyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C13H19N6O2S+ MolecularWeight: 323.39396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O2S/c1-22(20,21)18-9-7-17(8-10-18)11-13-14-15-16-19(13)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/p+1