MF5
Summary
| Name: | 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine |
| Synonyms: | methyl2-(pentafluorobenzyloxyimino)pyridinium |
| Formula: | C14 H10 F5 N2 O |
| Formal charge: | 1 |
| Formula weight: | 317.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium |
| OpenEye OEToolkits | 1.9.2 | (E)-1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1c(F)c(F)c(F)c(F)c1CO\N=C\c2[n+](cccc2)C |
| InChI | InChI | 1.03 | InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+ |
| InChIKey | InChI | 1.03 | HYLZTSPDSFFOSU-CGOBSMCZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1ccccc1/C=N/OCc2c(F)c(F)c(F)c(F)c2F |
| SMILES | CACTVS | 3.385 | C[n+]1ccccc1C=NOCc2c(F)c(F)c(F)c(F)c2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | C[n+]1ccccc1C=NOCc2c(c(c(c(c2F)F)F)F)F |
