2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-13-6-8-14(9-7-13)19(17,18)11-5-3-2-4-10(11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)