2-oxidanylpropane-1,2,3-tricarboxylate; piperazine; hexahydrate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; piperazine; hexahydrate Openeye Name: piperazine citrate hexahydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; piperazine; hexahydrate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; piperazine; hexahydrate Traditional Name: piperazine citrate hexahydrate Formula: C10H27N2O13-3 MolecularWeight: 383.32698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O

Isomeric SMILES

C1CNCCN1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O

InChI

InChI=1S/C6H8O7.C4H10N2.6H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-6-4-3-5-1;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5-6H,1-4H2;6*1H2/p-3