1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C22H23ClF3N4O2S+ MolecularWeight: 499.95683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClF3N4O2S/c1-16-18(21(23)30(27-16)17-7-3-2-4-8-17)15-28-11-13-29(14-12-28)33(31,32)20-10-6-5-9-19(20)22(24,25)26/h2-10H,11-15H2,1H3/p+1