OJX
Summary
| Name: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid |
| Formula: | C6 H7 N2 O3 |
| Formal charge: | 1 |
| Formula weight: | 155.131 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H-,7,9,10,11)/p+1 |
| InChIKey | InChI | 1.06 | SVUSRFFHFGAVHH-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc(c[n+]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cnc(c[n+]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c[n+]1O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c[n+]1O)C(=O)O |
