S7L
概要
| 表記: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium |
| 組成式: | C24 H22 N2 |
| 電荷: | 2 |
| 化学式量: | 338.445 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 | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-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 |
| InChI | InChI | 1.06 | InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2 |
| InChIKey | InChI | 1.06 | LUAZZOXZPVVGSO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3 |
| SMILES | CACTVS | 3.385 | C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[n+]2ccc(cc2)c3cc[n+](cc3)Cc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[n+]2ccc(cc2)c3cc[n+](cc3)Cc4ccccc4 |
