SR0
概要
表記: | N~1~-(3-azaniumylpropyl)butane-1,4-diaminium |
別名: | spermidine, fully protonated form |
組成式: | C7 H22 N3 |
電荷: | 3 |
化学式量: | 148.27 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~1~-(3-azaniumylpropyl)butane-1,4-diaminium |
OpenEye OEToolkits | 2.0.6 | 4-azaniumylbutyl(3-azaniumylpropyl)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 | [NH3+]CCCC[NH2+]CCC[NH3+] |
InChI | InChI | 1.03 | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3 |
InChIKey | InChI | 1.03 | ATHGHQPFGPMSJY-UHFFFAOYSA-Q |
SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]CCCC[NH2+]CCC[NH3+] |
SMILES | CACTVS | 3.385 | [NH3+]CCCC[NH2+]CCC[NH3+] |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CC[NH2+]CCC[NH3+])C[NH3+] |
SMILES | OpenEye OEToolkits | 2.0.6 | C(CC[NH2+]CCC[NH3+])C[NH3+] |