3-[4-(3-azanylpropyl)piperazin-1-yl]propan-1-amine; 2-phosphonobutane-1,2,4-tricarboxylic acid

Systemtic Name: 3-[4-(3-azanylpropyl)piperazin-1-yl]propan-1-amine; 2-phosphonobutane-1,2,4-tricarboxylic acid Openeye Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; 2-phosphonobutane-1,2,4-tricarboxylic acid CAS Name: 3-[4-(3-aminopropyl)-1-piperazinyl]-1-propanamine; 2-phosphonobutane-1,2,4-tricarboxylic acid IUPAC Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; 2-phosphonobutane-1,2,4-tricarboxylic acid Traditional Name: 3-[4-(3-aminopropyl)piperazino]propylamine; 2-phosphonobutane-1,2,4-tricarboxylic acid Formula: C17H35N4O9P MolecularWeight: 470.454961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN)CCCN.C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCN)CCCN.C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C10H24N4.C7H11O9P/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-12H2;1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)