4PO
Summary
| Name: | alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone |
| Synonyms: | 4-POBN |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | N-tert-butyl-1-(1-oxidanidylpyridin-1-ium-4-yl)methanimine oxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)(C)[N+](/[O-])=C/c1cc[n+]([O-])cc1 |
| SMILES | CACTVS | 3.352 | CC(C)(C)[N+]([O-])=Cc1cc[n+]([O-])cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)[N+](=Cc1cc[n+](cc1)[O-])[O-] |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8- |
| InChIKey | InChI | 1.03 | RNRMWTCECDHNQU-WQLSENKSSA-N |
