IXO
概要
| 表記: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium |
| 別名: | Iperoxo |
| 組成式: | C10 H17 N2 O2 |
| 電荷: | 1 |
| 化学式量: | 197.254 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 | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium |
| OpenEye OEToolkits | 1.7.6 | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethyl-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 | 12.01 | C(#CCOC1=NOCC1)C[N+](C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1 |
| InChIKey | InChI | 1.03 | WXXOCGISBCTWPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)CC#CCOC1=NOCC1 |
| SMILES | CACTVS | 3.385 | C[N+](C)(C)CC#CCOC1=NOCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[N+](C)(C)CC#CCOC1=NOCC1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C[N+](C)(C)CC#CCOC1=NOCC1 |
