2-[4-[2,3-bis(oxidanyl)propyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[2,3-bis(oxidanyl)propyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-(2,3-dihydroxypropyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-(4-glycerylpiperazino)nicotinic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CO)O)C2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(CO)O)C2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H19N3O4/c17-9-10(18)8-15-4-6-16(7-5-15)12-11(13(19)20)2-1-3-14-12/h1-3,10,17-18H,4-9H2,(H,19,20)