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

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-tosyl-piperazin-1-ium Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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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)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-17-8-10-20(11-9-17)30(28,29)26-14-12-25(13-15-26)16-21-18(2)24-27(22(21)23)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3/p+1