6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-chloranyl-pyridine-3-carboxylate

Systemtic Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-chloranyl-pyridine-3-carboxylate Openeye Name: 5-chloro-6-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-3-carboxylate CAS Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-chloro-3-pyridinecarboxylate IUPAC Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-5-chloropyridine-3-carboxylate Traditional Name: 5-chloro-6-[[(3R)-quinuclidin-1-ium-3-yl]amino]nicotinate Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2/c14-10-5-9(13(18)19)6-15-12(10)16-11-7-17-3-1-8(11)2-4-17/h5-6,8,11H,1-4,7H2,(H,15,16)(H,18,19)/t11-/m0/s1