1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(3,4-dichlorobenzyl)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)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2N2O2S/c1-2-16-5-7-17(8-6-16)20(18,19)10-11-3-4-12(14)13(15)9-11/h3-4,9H,2,5-8,10H2,1H3/p+1