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

Systemtic Name: 1-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H17Cl2N2O3S+ MolecularWeight: 340.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Cl2N2O3S/c1-15-3-5-16(6-4-15)20(17,18)12-8-9(13)11(19-2)7-10(12)14/h7-8H,3-6H2,1-2H3/p+1