C6W
概要
| 表記: | 3-Cyclohexyl-1-Propylphosphocholine |
| 組成式: | C14 H24 N O4 P |
| 電荷: | 0 |
| 化学式量: | 301.318 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 3-phenylpropyl 2-(trimethylammonio)ethyl phosphate |
| OpenEye OEToolkits | 1.9.2 | 3-phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate |
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 | 12.01 | [O-]P(=O)(OCC[N+](C)(C)C)OCCCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H24NO4P/c1-15(2,3)11-13-19-20(16,17)18-12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3 |
| InChIKey | InChI | 1.03 | NFUBQNQOSNBRKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)CCO[P]([O-])(=O)OCCCc1ccccc1 |
| SMILES | CACTVS | 3.385 | C[N+](C)(C)CCO[P]([O-])(=O)OCCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1 |
