5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-oxidanyl-benzoate

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2-hydroxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2-hydroxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-hydroxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c1-13-4-6-14(7-5-13)20(18,19)9-2-3-11(15)10(8-9)12(16)17/h2-3,8,15H,4-7H2,1H3,(H,16,17)