1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-(2-methylphenyl)-2-phenyl-ethanol

Systemtic Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-(2-methylphenyl)-2-phenyl-ethanol Openeye Name: 1-(o-tolyl)-2-phenyl-1-quinuclidin-1-ium-3-yl-ethanol CAS Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-(2-methylphenyl)-2-phenylethanol IUPAC Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-(2-methylphenyl)-2-phenylethanol Traditional Name: 1-(o-tolyl)-2-phenyl-1-quinuclidin-1-ium-3-yl-ethanol Formula: C22H28NO+ MolecularWeight: 322.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC2=CC=CC=C2)(C3C[NH+]4CCC3CC4)O

Isomeric SMILES

CC1=CC=CC=C1C(CC2=CC=CC=C2)(C3C[NH+]4CCC3CC4)O

InChI

InChI=1S/C22H27NO/c1-17-7-5-6-10-20(17)22(24,15-18-8-3-2-4-9-18)21-16-23-13-11-19(21)12-14-23/h2-10,19,21,24H,11-16H2,1H3/p+1