KHJ
概要
| 表記: | 1,1'-dimethyl-4,4'-bipyridin-1-ium |
| 組成式: | C12 H14 N2 |
| 電荷: | 2 |
| 化学式量: | 186.253 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 | 1,1'-dimethyl-4,4'-bipyridin-1-ium |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium |
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[n+]2ccc(c1cc[n+](cc1)C)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2 |
| InChIKey | InChI | 1.03 | INFDPOAKFNIJBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1ccc(cc1)c2cc[n+](C)cc2 |
| SMILES | CACTVS | 3.385 | C[n+]1ccc(cc1)c2cc[n+](C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[n+]1ccc(cc1)c2cc[n+](cc2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | C[n+]1ccc(cc1)c2cc[n+](cc2)C |
