1-[(2,4-dichlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium Traditional Name: 1-(2,4-dichlorobenzyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H17Cl2N2O2S+ MolecularWeight: 324.24658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H16Cl2N2O2S/c1-15-4-6-16(7-5-15)19(17,18)9-10-2-3-11(13)8-12(10)14/h2-3,8H,4-7,9H2,1H3/p+1