1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 3-oxidanyl-2,2-diphenyl-propanoate; iodide

Systemtic Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 3-oxidanyl-2,2-diphenyl-propanoate; iodide Openeye Name: 3-hydroxy-2,2-diphenyl-propanoate; 1-methylquinuclidin-1-ium-3-ol; iodide CAS Name: 3-hydroxy-2,2-diphenylpropanoate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; iodide IUPAC Name: 3-hydroxy-2,2-diphenylpropanoate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; iodide Traditional Name: 3-hydroxy-2,2-diphenyl-propionate; 1-methylquinuclidin-1-ium-3-ol; iodide Formula: C23H29INO4- MolecularWeight: 510.38513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)O.C1=CC=C(C=C1)C(CO)(C2=CC=CC=C2)C(=O)[O-].[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)O.C1=CC=C(C=C1)C(CO)(C2=CC=CC=C2)C(=O)[O-].[I-]

InChI

InChI=1S/C15H14O3.C8H16NO.HI/c16-11-15(14(17)18,12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-9-4-2-7(3-5-9)8(10)6-9;/h1-10,16H,11H2,(H,17,18);7-8,10H,2-6H2,1H3;1H/q;+1;/p-2