A1IXB
Summary
| Name: | (3~{R})-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol |
| Formula: | C9 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 151.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H13NO/c1-2-9(11)7-10-5-3-8(9)4-6-10/h1,8,11H,3-7H2/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | YRTHQTAVIFQEEG-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@]1(CN2CCC1CC2)C#C |
| SMILES | CACTVS | 3.385 | O[C]1(CN2CCC1CC2)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#C[C@]1(CN2CCC1CC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CC1(CN2CCC1CC2)O |
