SPK
概要
| 表記: | SPERMINE (FULLY PROTONATED FORM) |
| 組成式: | C10 H30 N4 |
| 電荷: | 4 |
| 化学式量: | 206.372 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 | N,N'-bis(3-ammoniopropyl)butane-1,4-diaminium |
| OpenEye OEToolkits | 1.7.2 | 3-azaniumylpropyl-[4-(3-azaniumylpropylazaniumyl)butyl]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 |
| SMILES | ACDLabs | 12.01 | C(CCC[NH2+]CCC[NH3+])[NH2+]CCC[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4 |
| InChIKey | InChI | 1.03 | PFNFFQXMRSDOHW-UHFFFAOYSA-R |
| SMILES_CANONICAL | CACTVS | 3.370 | [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] |
| SMILES | CACTVS | 3.370 | [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] |
