azanyl(butyl)azanium; terephthalate

Systemtic Name: azanyl(butyl)azanium; terephthalate Openeye Name: amino(butyl)ammonium; terephthalate CAS Name: amino(butyl)ammonium; terephthalate IUPAC Name: amino(butyl)azanium; terephthalate Traditional Name: amino(butyl)ammonium; terephthalate Formula: C16H30N4O4 MolecularWeight: 342.4338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]N.CCCC[NH2+]N.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[NH2+]N.CCCC[NH2+]N.C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O4.2C4H12N2/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2-3-4-6-5/h1-4H,(H,9,10)(H,11,12);2*6H,2-5H2,1H3