2-oxidanyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzoate

Systemtic Name: 2-oxidanyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzoate Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzoate IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-hydroxybenzoate Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-hydroxy-benzoate Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c21-17-7-6-15(12-16(17)18(22)23)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2,(H,22,23)