piperazin-1-ium; terephthalate

Systemtic Name: piperazin-1-ium; terephthalate Openeye Name: piperazin-1-ium; terephthalate CAS Name: piperazin-1-ium; terephthalate IUPAC Name: piperazin-1-ium; terephthalate Traditional Name: piperazin-1-ium; terephthalate Formula: C16H26N4O4 MolecularWeight: 338.40204

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH2+]1.C1CNCC[NH2+]1.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CNCC[NH2+]1.C1CNCC[NH2+]1.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O4.2C4H10N2/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2-6-4-3-5-1/h1-4H,(H,9,10)(H,11,12);2*5-6H,1-4H2