3-[4-(3-azanylpropyl)piperazin-1-yl]propan-1-amine; terephthalic acid

Systemtic Name: 3-[4-(3-azanylpropyl)piperazin-1-yl]propan-1-amine; terephthalic acid Openeye Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; terephthalic acid CAS Name: 3-[4-(3-aminopropyl)-1-piperazinyl]-1-propanamine; terephthalic acid IUPAC Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; terephthalic acid Traditional Name: 3-[4-(3-aminopropyl)piperazino]propylamine; terephthalic acid Formula: C18H30N4O4 MolecularWeight: 366.4552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN)CCCN.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCN)CCCN.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C10H24N4.C8H6O4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-12H2;1-4H,(H,9,10)(H,11,12)