RKN
概要
| 表記: | (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium |
| 組成式: | C14 H15 Cl N |
| 電荷: | 1 |
| 化学式量: | 232.729 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 | 2.0.6 | (3-chloranyl-4-phenyl-phenyl)methyl-methyl-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 | 1.03 | InChI=1S/C14H14ClN/c1-16-10-11-7-8-13(14(15)9-11)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | MDDYEXZTZUUWBH-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 |
