A1H9I
Summary
| Name: | fluoromethylcholine |
| Synonyms: | N-(fluoromethyl)-2-hydroxy-N,N- dimethylethan-1-aminium |
| Formula: | C5 H13 F N O |
| Formal charge: | 1 |
| Formula weight: | 122.161 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | fluoranylmethyl-(2-hydroxyethyl)-dimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H13FNO/c1-7(2,5-6)3-4-8/h8H,3-5H2,1-2H3/q+1 |
| InChIKey | InChI | 1.06 | PBVFROWIWWGIFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(CF)CCO |
| SMILES | CACTVS | 3.385 | C[N+](C)(CF)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(CCO)CF |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(CCO)CF |
