ethanedioic acid; 3-[3-(hydroxymethyl)piperidin-1-yl]propane-1,2-diol

Systemtic Name: ethanedioic acid; 3-[3-(hydroxymethyl)piperidin-1-yl]propane-1,2-diol Openeye Name: 3-[3-(hydroxymethyl)-1-piperidyl]propane-1,2-diol; oxalic acid CAS Name: 3-[3-(hydroxymethyl)-1-piperidinyl]propane-1,2-diol; oxalic acid IUPAC Name: 3-[3-(hydroxymethyl)piperidin-1-yl]propane-1,2-diol; oxalic acid Traditional Name: 3-(3-methylolpiperidino)propane-1,2-diol; oxalic acid Formula: C11H21NO7 MolecularWeight: 279.28694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(CO)O)CO.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)CC(CO)O)CO.C(=O)(C(=O)O)O

InChI

InChI=1S/C9H19NO3.C2H2O4/c11-6-8-2-1-3-10(4-8)5-9(13)7-12;3-1(4)2(5)6/h8-9,11-13H,1-7H2;(H,3,4)(H,5,6)