1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenyl-ethanol

Systemtic Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenyl-ethanol Openeye Name: 1,2-diphenyl-1-quinuclidin-1-ium-3-yl-ethanol CAS Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenylethanol IUPAC Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1,2-diphenylethanol Traditional Name: 1,2-diphenyl-1-quinuclidin-1-ium-3-yl-ethanol Formula: C21H26NO+ MolecularWeight: 308.43724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+]2CCC1C(C2)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H25NO/c23-21(19-9-5-2-6-10-19,15-17-7-3-1-4-8-17)20-16-22-13-11-18(20)12-14-22/h1-10,18,20,23H,11-16H2/p+1