2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-4-carboxylate

Systemtic Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-4-carboxylate Openeye Name: 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-4-carboxylate CAS Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-4-pyridinecarboxylate IUPAC Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-4-carboxylate Traditional Name: 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]isonicotinate Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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