2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]acetate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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