SCU
概要
表記: | N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM |
別名: | SUCCINYLMONOCHOLINE |
組成式: | C9 H18 N O3 |
電荷: | 1 |
化学式量: | 188.244 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 | N,N,N-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium |
OpenEye OEToolkits | 1.5.0 | trimethyl-[2-(4-oxobutanoyloxy)ethyl]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 | 10.04 | O=CCCC(=O)OCC[N+](C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[N+](C)(C)CCOC(=O)CCC=O |
SMILES | CACTVS | 3.341 | C[N+](C)(C)CCOC(=O)CCC=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)CCOC(=O)CCC=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)CCOC(=O)CCC=O |
InChI | InChI | 1.03 | InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1 |
InChIKey | InChI | 1.03 | RIRQNBQBGSVENV-UHFFFAOYSA-N |