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

Systemtic Name: 1-[[1-[(4-methylphenyl)sulfonylmethyl]-1,2,3,4-tetrazol-5-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-phenyl-4-[[1-(p-tolylsulfonylmethyl)tetrazol-5-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-phenyl-4-[[1-(tosylmethyl)tetrazol-5-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)S(=O)(=O)CN2C(=NN=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2S/c1-17-7-9-19(10-8-17)29(27,28)16-26-20(21-22-23-26)15-24-11-13-25(14-12-24)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1