EZK
概要
| 表記: | [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium |
| 組成式: | C19 H22 Cl N7 O |
| 電荷: | 2 |
| 化学式量: | 399.877 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 | [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-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/C19H20ClN7O/c20-15-11-14(5-6-16(15)27-19-23-9-10-24-19)25-17(28)12-1-3-13(4-2-12)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)/p+2 |
| InChIKey | InChI | 1.03 | RZRDBTPEIPCUHV-UHFFFAOYSA-P |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(NC(=O)c2ccc(cc2)[NH+]=C3NCCN3)ccc1[NH+]=C4NCCN4 |
| SMILES | CACTVS | 3.385 | Clc1cc(NC(=O)c2ccc(cc2)[NH+]=C3NCCN3)ccc1[NH+]=C4NCCN4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4 |
