GO5
Summary
| Name: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one |
| Formula: | C16 H20 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 277.789 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20ClNO/c17-13-6-4-12(5-7-13)8-9-18-14-2-1-3-15(18)11-16(19)10-14/h4-7,14-15H,1-3,8-11H2/t14-,15+ |
| InChIKey | InChI | 1.03 | BILOMABRWULRBP-GASCZTMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CCN2[C@@H]3CCC[C@H]2CC(=O)C3)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CCN2[CH]3CCC[CH]2CC(=O)C3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCN2C3CCCC2CC(=O)C3)Cl |
