6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate

Systemtic Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate Openeye Name: 6-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-3-carboxylate CAS Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-pyridinecarboxylate IUPAC Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate Traditional Name: 6-[[(3R)-quinuclidin-1-ium-3-yl]amino]nicotinate Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=NC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=NC=C(C=C3)C(=O)[O-]

InChI

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