2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate

Systemtic Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate Openeye Name: 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-3-carboxylate CAS Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-pyridinecarboxylate IUPAC Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate Traditional Name: 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]nicotinate Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C13H17N3O2/c17-13(18)10-2-1-5-14-12(10)15-11-8-16-6-3-9(11)4-7-16/h1-2,5,9,11H,3-4,6-8H2,(H,14,15)(H,17,18)/t11-/m0/s1