1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(2,4-dichloro-3-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(2,4-dichloro-3-methyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C13H19Cl2N2O2S+ MolecularWeight: 338.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)C)Cl

InChI

InChI=1S/C13H18Cl2N2O2S/c1-3-16-6-8-17(9-7-16)20(18,19)12-5-4-11(14)10(2)13(12)15/h4-5H,3,6-9H2,1-2H3/p+1