A1JCI
Summary
| Name: | (3~{R})-3-(2-chloranylethynyl)-1-azabicyclo[2.2.2]octan-3-ol |
| Formula: | C9 H12 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 185.651 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-(2-chloranylethynyl)-1-azabicyclo[2.2.2]octan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12ClNO/c10-4-3-9(12)7-11-5-1-8(9)2-6-11/h8,12H,1-2,5-7H2/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | IDDQVUITPVBTJK-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@]1(CN2CCC1CC2)C#CCl |
| SMILES | CACTVS | 3.385 | O[C]1(CN2CCC1CC2)C#CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CN2CCC1[C@](C2)(C#CCl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CN2CCC1C(C2)(C#CCl)O |
