Compound Summary
OXA-22 iodide
Compound Information
OXA-22 iodide
Compound Name: | OXA-22 iodide |
Compound CID: | 6603753 |
Synonyms: | OXA-22 iodide |
Iupac Name: | trimethyl-[[(2R,5R)-2-methyl-1,3-oxathiolan-5-yl]methyl]azanium |
InChI: | InChI=1S/C8H18NOS/c1-7-10-8(6-11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1 |
InChIKey: | NZAMMJKYTYHSHN-HTQZYQBOSA-N |
Canonical Smiles: | CC1OC(CS1)C[N+](C)(C)C |
Isomeric Smiles: | C[C@@H]1O[C@@H](CS1)C[N+](C)(C)C |
Molecular Weight: | 176.3 |
Molecular Formula: | C8H18NOS+ |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
OXA-22 iodide
Molecular Weight: | 176.3 |
Molecular Formula: | C8H18NOS+ |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 11 |
Complexity: | 133 |
Synonyms
OXA-22 iodide
Experimental Data
OXA-22 iodide
Experimental Data Visualization
OXA-22 iodide
Statistics Data
OXA-22 iodide
Statistics Data Visualization
OXA-22 iodide
