NAF
概要
| 表記: | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE |
| 組成式: | C11 H15 F3 N O2 |
| 電荷: | 1 |
| 化学式量: | 250.238 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| 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 |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| 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 |
