6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-chloranyl-pyridine-2-carboxylate

Systemtic Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-chloranyl-pyridine-2-carboxylate Openeye Name: 3-chloro-6-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-2-carboxylate CAS Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-chloro-2-pyridinecarboxylate IUPAC Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-chloropyridine-2-carboxylate Traditional Name: 3-chloro-6-[[(3R)-quinuclidin-1-ium-3-yl]amino]picolinate Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2/c14-9-1-2-11(16-12(9)13(18)19)15-10-7-17-5-3-8(10)4-6-17/h1-2,8,10H,3-7H2,(H,15,16)(H,18,19)/t10-/m0/s1