Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCCCC)C |
SMILES_CANONICAL | CACTVS | 3.352 | CCCCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O |
SMILES | CACTVS | 3.352 | CCCCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
SMILES | OpenEye OEToolkits | 1.6.1 | CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3 |
InChIKey | InChI | 1.03 | IZWSFJTYBVKZNK-UHFFFAOYSA-N |