RWV
概要
| 表記: | 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine |
| 組成式: | C11 H19 N3 S |
| 電荷: | 0 |
| 化学式量: | 225.354 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-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine |
| OpenEye OEToolkits | 2.0.6 | [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine |
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 | N1(CCC(CC1)CN)Cc2csc(n2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3 |
| InChIKey | InChI | 1.03 | ZEYZIFKDRCDRKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(CN2CCC(CN)CC2)n1 |
| SMILES | CACTVS | 3.385 | Cc1scc(CN2CCC(CN)CC2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)CN2CCC(CC2)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(cs1)CN2CCC(CC2)CN |
