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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(5-phenyltetrazol-2-yl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(5-phenyl-2-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-phenyltetrazol-2-yl)methyl]-4-tosyl-piperazin-1-ium Formula: C19H23N6O2S+ MolecularWeight: 399.48992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2S/c1-16-7-9-18(10-8-16)28(26,27)24-13-11-23(12-14-24)15-25-21-19(20-22-25)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/p+1