1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C17H23Cl2N4O2S+ MolecularWeight: 418.36112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

InChI

InChI=1S/C17H22Cl2N4O2S/c1-3-23-13(2)14(11-20-23)12-21-6-8-22(9-7-21)26(24,25)17-10-15(18)4-5-16(17)19/h4-5,10-11H,3,6-9,12H2,1-2H3/p+1