2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-tosylpiperazin-1-ium-1-yl)acetate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)20(18,19)15-8-6-14(7-9-15)10-13(16)17/h2-5H,6-10H2,1H3,(H,16,17)