4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O5S/c16-10-9-14-5-7-15(8-6-14)21(19,20)12-3-1-11(2-4-12)13(17)18/h1-4,16H,5-10H2,(H,17,18)