PSP
概要
| 表記: | 1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDINIUMALDOXIME |
| 組成式: | C15 H18 N4 O2 |
| 電荷: | 2 |
| 化学式量: | 286.329 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 1,1'-propane-1,3-diylbis{4-[(E)-(hydroxyimino)methyl]pyridinium} |
| OpenEye OEToolkits | 1.5.0 | (NE)-N-[[1-[3-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine |
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 | 10.04 | O\N=C\c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O\N=C\c1cc[n+](CCC[n+]2ccc(cc2)\C=N\O)cc1 |
| SMILES | CACTVS | 3.341 | ON=Cc1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C=NO |
| InChI | InChI | 1.03 | InChI=1S/C15H16N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-13H,1,6-7H2/p+2 |
| InChIKey | InChI | 1.03 | LJYGXPCCGGSATE-UHFFFAOYSA-P |
