2,4-bis(chloranyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: 2,4-bis(chloranyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 2,4-dichloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2,4-dichloro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2,4-dichloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2,4-dichloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C12H14Cl2N2O4S MolecularWeight: 353.22156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2N2O4S/c1-15-2-4-16(5-3-15)21(19,20)11-6-8(12(17)18)9(13)7-10(11)14/h6-7H,2-5H2,1H3,(H,17,18)