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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-tosyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(N(N=C3C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(N(N=C3C)C)C

InChI

InChI=1S/C18H26N4O2S/c1-14-5-7-17(8-6-14)25(23,24)22-11-9-21(10-12-22)13-18-15(2)19-20(4)16(18)3/h5-8H,9-13H2,1-4H3/p+1