HI6
Summary
| Name: | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM |
| Synonyms: | 1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER |
| Formula: | C14 H16 N4 O3 |
| Formal charge: | 2 |
| Formula weight: | 288.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium |
| OpenEye OEToolkits | 1.5.0 | 1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2\C=N\O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 |
| SMILES | CACTVS | 3.341 | NC(=O)c1cc[n+](COC[n+]2ccccc2C=NO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 |
| InChIKey | InChI | 1.03 | FJZDLOMCEPUCII-UHFFFAOYSA-P |
