(3S)-3-(3-oxidanyl-3,3-diphenyl-prop-1-ynyl)-1-azoniabicyclo[2.2.2]octan-3-ol

Systemtic Name: (3S)-3-(3-oxidanyl-3,3-diphenyl-prop-1-ynyl)-1-azoniabicyclo[2.2.2]octan-3-ol Openeye Name: (3S)-3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)quinuclidin-1-ium-3-ol CAS Name: (3S)-3-(3-hydroxy-3,3-diphenylprop-1-ynyl)-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: (3S)-3-(3-hydroxy-3,3-diphenylprop-1-ynyl)-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: (3S)-3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)quinuclidin-1-ium-3-ol Formula: C22H24NO2+ MolecularWeight: 334.43146

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)(C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

Isomeric SMILES

C1C[NH+]2CCC1[C@@](C2)(C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

InChI

InChI=1S/C22H23NO2/c24-21(17-23-15-11-18(21)12-16-23)13-14-22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,24-25H,11-12,15-17H2/p+1/t21-/m0/s1