A1C5N
Summary
| Name: | 5-heptyl-1-oxo-1lambda~5~-pyridin-3-ol |
| Formula: | C12 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-heptyl-1-oxo-1lambda~5~-pyridin-3-ol |
| OpenEye OEToolkits | 3.1.0.0 | 5-heptyl-1-oxidanidyl-pyridin-1-ium-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1cc(CCCCCCC)c[n+]([O-])c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H19NO2/c1-2-3-4-5-6-7-11-8-12(14)10-13(15)9-11/h8-10,14H,2-7H2,1H3 |
| InChIKey | InChI | 1.06 | CDDDKVOJAADPBX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCc1cc(O)c[n+]([O-])c1 |
| SMILES | CACTVS | 3.385 | CCCCCCCc1cc(O)c[n+]([O-])c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCc1cc(c[n+](c1)[O-])O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCc1cc(c[n+](c1)[O-])O |
