Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1 |
InChIKey | InChI | 1.03 | HVAUUPRFYPCOCA-AREMUKBSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCOC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCOC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C |