E00
概要
表記: | benzyltrimethylammonium |
組成式: | C10 H16 N |
電荷: | 1 |
化学式量: | 150.241 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,N-trimethyl(phenyl)methanaminium |
OpenEye OEToolkits | 2.0.7 | trimethyl-(phenylmethyl)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[N+](C)(C)Cc1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1 |
InChIKey | InChI | 1.03 | YOUGRGFIHBUKRS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)Cc1ccccc1 |
SMILES | CACTVS | 3.385 | C[N+](C)(C)Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)Cc1ccccc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)Cc1ccccc1 |