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

Systemtic Name: 1-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C13H19Cl2N2O3S+ MolecularWeight: 354.27256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2N2O3S/c1-3-16-4-6-17(7-5-16)21(18,19)13-9-10(14)12(20-2)8-11(13)15/h8-9H,3-7H2,1-2H3/p+1