2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-diphenyl-ethanol iodide

Systemtic Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-diphenyl-ethanol iodide Openeye Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-diphenyl-ethanol iodide CAS Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-diphenylethanol iodide IUPAC Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-diphenylethanol iodide Traditional Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-diphenyl-ethanol iodide Formula: C23H28INO MolecularWeight: 461.37899

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(=CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)C2)C.[I-]

Isomeric SMILES

C[N+]1(C2CCC1CC(=CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)C2)C.[I-]

InChI

InChI=1S/C23H28NO.HI/c1-24(2)21-13-14-22(24)16-18(15-21)17-23(25,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,17,21-22,25H,13-16H2,1-2H3;1H/q+1;/p-1