4-[4-(2-sulfonatoethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 4-[4-(2-sulfonatoethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 4-[4-(2-sulfonatoethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(2-sulfonatoethyl)-1-piperazin-4-iumyl]methyl]benzoate IUPAC Name: 4-[4-(2-sulfonatoethyl)piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(2-sulfonatoethyl)piperazin-4-ium-1-carbonyl]benzoate Formula: C14H17N2O6S- MolecularWeight: 341.35958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6S/c17-13(11-1-3-12(4-2-11)14(18)19)16-7-5-15(6-8-16)9-10-23(20,21)22/h1-4H,5-10H2,(H,18,19)(H,20,21,22)/p-1