8GC
Summary
| Name: | 3-carbamoyl-1-methylpyridin-1-ium |
| Synonyms: | 1-methylnicotinamide |
| Formula: | C7 H9 N2 O |
| Formal charge: | 1 |
| Formula weight: | 137.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-carbamoyl-1-methylpyridin-1-ium |
| OpenEye OEToolkits | 2.0.6 | 1-methylpyridin-1-ium-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N)(=O)c1ccc[n+](C)c1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 |
| InChIKey | InChI | 1.03 | LDHMAVIPBRSVRG-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1cccc(c1)C(N)=O |
| SMILES | CACTVS | 3.385 | C[n+]1cccc(c1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[n+]1cccc(c1)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C[n+]1cccc(c1)C(=O)N |
