| PDB CCD ID: | HI6 |
| Number of entries in BioLiP: | 34 |
| Chemical formula: | C14 H16 N4 O3 |
| InChI: | 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: | FJZDLOMCEPUCII-UHFFFAOYSA-P |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N | | CACTVS 3.341 | NC(=O)c1cc[n+](COC[n+]2ccccc2C=NO)cc1 | | CACTVS 3.341 | NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1 | | OpenEye OEToolkits 1.5.0 | c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N | | ACDLabs 10.04 | O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2\C=N\O |
|
| Name: | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM;
1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER |
| ChEMBL: | CHEMBL385181 |
| ZINC: | ZINC000000005077 |
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