WRF
概要
| 表記: | 1-methyl-4-phenylpyridin-1-ium |
| 組成式: | C12 H12 N |
| 電荷: | 1 |
| 化学式量: | 170.23 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-methyl-4-phenylpyridin-1-ium |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-4-phenyl-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+]1ccc(cc1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1 |
| InChIKey | InChI | 1.06 | FMGYKKMPNATWHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1ccc(cc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[n+]1ccc(cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[n+]1ccc(cc1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[n+]1ccc(cc1)c2ccccc2 |
