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

Systemtic Name: 2-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C12H15ClN2O4S MolecularWeight: 318.7765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O4S/c1-14-4-6-15(7-5-14)20(18,19)9-2-3-11(13)10(8-9)12(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)