1-[(2,4-dichlorophenyl)methyl]-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,4-dichlorophenyl)methyl]-4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,4-dichlorobenzyl)-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazin-1-ium Formula: C17H23Cl2N4O2S+ MolecularWeight: 418.36112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

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