(2Z,3S)-2-(1-benzofuran-2-ylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol

Systemtic Name: (2Z,3S)-2-(1-benzofuran-2-ylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: (2Z,3S)-2-(benzofuran-2-ylmethylene)quinuclidin-1-ium-3-ol CAS Name: (2Z,3S)-2-(2-benzofuranylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: (2Z,3S)-2-(1-benzofuran-2-ylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: (2Z,3S)-2-(benzofuran-2-ylmethylene)quinuclidin-1-ium-3-ol Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2=CC3=CC4=CC=CC=C4O3)O

Isomeric SMILES

C1C[NH+]\2CCC1[C@@H](/C2=C/C3=CC4=CC=CC=C4O3)O

InChI

InChI=1S/C16H17NO2/c18-16-11-5-7-17(8-6-11)14(16)10-13-9-12-3-1-2-4-15(12)19-13/h1-4,9-11,16,18H,5-8H2/p+1/b14-10-/t16-/m0/s1