O14
概要
| 表記: | (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide |
| 組成式: | C14 H20 N4 O |
| 電荷: | 0 |
| 化学式量: | 260.335 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 11.02 | 4-[(E)-{[(1-methylpiperidin-4-yl)oxy]imino}methyl]benzenecarboximidamide |
| OpenEye OEToolkits | 1.6.1 | 4-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide |
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 | 11.02 | N(/OC1CCN(C)CC1)=C\c2ccc(C(=[N@H])N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | CN1CCC(CC1)O\N=C\c2ccc(cc2)C(N)=N |
| SMILES | CACTVS | 3.352 | CN1CCC(CC1)ON=Cc2ccc(cc2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCC(CC1)ON=Cc2ccc(cc2)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+ |
| InChIKey | InChI | 1.03 | FNLKRNACHKABQI-LICLKQGHSA-N |
