(2E,3S)-2-(pyridin-2-ylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol

Systemtic Name: (2E,3S)-2-(pyridin-2-ylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: (2E,3S)-2-(2-pyridylmethylene)quinuclidin-1-ium-3-ol CAS Name: (2E,3S)-2-(2-pyridinylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: (2E,3S)-2-(pyridin-2-ylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: (2E,3S)-2-(2-pyridylmethylene)quinuclidin-1-ium-3-ol Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2=CC3=CC=CC=N3)O

Isomeric SMILES

C1C[NH+]\2CCC1[C@@H](/C2=C\C3=CC=CC=N3)O

InChI

InChI=1S/C13H16N2O/c16-13-10-4-7-15(8-5-10)12(13)9-11-3-1-2-6-14-11/h1-3,6,9-10,13,16H,4-5,7-8H2/p+1/b12-9+/t13-/m0/s1