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

Systemtic Name: 4-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2-hydroxy-4-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2-hydroxy-4-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-hydroxy-4-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H18N2O5S/c1-9-7-11(16)10(13(17)18)8-12(9)21(19,20)15-5-3-14(2)4-6-15/h7-8,16H,3-6H2,1-2H3,(H,17,18)