ethanedioic acid; 3-(4-methylpyridin-3-yl)-1-azabicyclo[2.2.2]oct-2-ene

Systemtic Name: ethanedioic acid; 3-(4-methylpyridin-3-yl)-1-azabicyclo[2.2.2]oct-2-ene Openeye Name: 3-(4-methyl-3-pyridyl)-1-azabicyclo[2.2.2]oct-2-ene; oxalic acid CAS Name: 3-(4-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]oct-2-ene; oxalic acid IUPAC Name: 3-(4-methylpyridin-3-yl)-1-azabicyclo[2.2.2]oct-2-ene; oxalic acid Traditional Name: 3-(4-methyl-3-pyridyl)-1-azabicyclo[2.2.2]oct-2-ene; oxalic acid Formula: C17H20N2O8 MolecularWeight: 380.3493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C2=CN3CCC2CC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=NC=C1)C2=CN3CCC2CC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N2.2C2H2O4/c1-10-2-5-14-8-12(10)13-9-15-6-3-11(13)4-7-15;2*3-1(4)2(5)6/h2,5,8-9,11H,3-4,6-7H2,1H3;2*(H,3,4)(H,5,6)