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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)N3C=NN=N3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)N3C=NN=N3

InChI

InChI=1S/C13H18N6O2S/c1-11-9-12(3-4-13(11)19-10-14-15-16-19)22(20,21)18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3/p+1