A1H9K
概要
| 表記: | cyclopropylcholine |
| 別名: | cyclopropyl-(2-hydroxyethyl)-dimethyl-azanium N-(2-hydroxyethyl)-N,N-dimethylcyclopropanaminium |
| 組成式: | C7 H16 N O |
| 電荷: | 1 |
| 化学式量: | 130.208 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | cyclopropyl-(2-hydroxyethyl)-dimethyl-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 |
| InChI | InChI | 1.06 | InChI=1S/C7H16NO/c1-8(2,5-6-9)7-3-4-7/h7,9H,3-6H2,1-2H3/q+1 |
| InChIKey | InChI | 1.06 | BVCAJCAPSNWOCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(CCO)C1CC1 |
| SMILES | CACTVS | 3.385 | C[N+](C)(CCO)C1CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(CCO)C1CC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(CCO)C1CC1 |
