2-oxidanyl-5-piperazin-4-ium-1-yl-benzoate

Systemtic Name: 2-oxidanyl-5-piperazin-4-ium-1-yl-benzoate Openeye Name: 2-hydroxy-5-piperazin-4-ium-1-yl-benzoate CAS Name: 2-hydroxy-5-(1-piperazin-4-iumyl)benzoate IUPAC Name: 2-hydroxy-5-piperazin-4-ium-1-ylbenzoate Traditional Name: 2-hydroxy-5-piperazin-4-ium-1-yl-benzoate Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C11H14N2O3/c14-10-2-1-8(7-9(10)11(15)16)13-5-3-12-4-6-13/h1-2,7,12,14H,3-6H2,(H,15,16)