NAF
Summary
| Name: | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE |
| Formula: | C11 H15 F3 N O2 |
| Formal charge: | 1 |
| Formula weight: | 250.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium |
| OpenEye OEToolkits | 1.5.0 | trimethyl-[3-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)phenyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F |
| SMILES | CACTVS | 3.341 | C[N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1 |
| InChIKey | InChI | 1.03 | KGVDBJQLTHWAJF-UHFFFAOYSA-N |
