A1CD2
Summary
| Name: | (1S,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol |
| Formula: | C10 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 185.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1S,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S},3~{S})-3-ethoxy-7-azaspiro[3.5]nonan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CC(OCC)C21CCNCC2 |
| InChI | InChI | 1.06 | InChI=1S/C10H19NO2/c1-2-13-9-7-8(12)10(9)3-5-11-6-4-10/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | WBKRQCLCXTYBRL-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCO[C@H]1C[C@H](O)C12CCNCC2 |
| SMILES | CACTVS | 3.385 | CCO[CH]1C[CH](O)C12CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCO[C@H]1C[C@@H](C12CCNCC2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC1CC(C12CCNCC2)O |
