1-azabicyclo[2.2.2]octan-3-ol; bromanylmethane; 2-oxidanyl-2,2-diphenyl-ethanoic acid

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-ol; bromanylmethane; 2-oxidanyl-2,2-diphenyl-ethanoic acid Openeye Name: bromomethane; 2-hydroxy-2,2-diphenyl-acetic acid; quinuclidin-3-ol CAS Name: 1-azabicyclo[2.2.2]octan-3-ol; bromomethane; 2-hydroxy-2,2-diphenylacetic acid IUPAC Name: 1-azabicyclo[2.2.2]octan-3-ol; bromomethane; 2-hydroxy-2,2-diphenylacetic acid Traditional Name: benzilic acid; bromomethane; quinuclidin-3-ol Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

CBr.C1CN2CCC1C(C2)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CBr.C1CN2CCC1C(C2)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C14H12O3.C7H13NO.CH3Br/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;9-7-5-8-3-1-6(7)2-4-8;1-2/h1-10,17H,(H,15,16);6-7,9H,1-5H2;1H3