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

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-phenyl-2-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium Formula: C20H25N6O2S+ MolecularWeight: 413.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3N=C(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3N=C(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2S/c1-16-8-9-17(2)19(14-16)29(27,28)25-12-10-24(11-13-25)15-26-22-20(21-23-26)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1