Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCCCC(OCC(OC(=O)CCCCC)COP(OCC[N+](C)(C)C)(O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C19H38NO8P/c1-6-8-10-12-19(22)28-17(15-25-18(21)11-9-7-2)16-27-29(23,24)26-14-13-20(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1 |
InChIKey | InChI | 1.03 | IZTOQGOABQJQQN-KRWDZBQOSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)O[C@@H](COC(=O)CCCC)CO[P](O)(=O)OCC[N+](C)(C)C |
SMILES | CACTVS | 3.385 | CCCCCC(=O)O[CH](COC(=O)CCCC)CO[P](O)(=O)OCC[N+](C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.4 | CCCCCC(=O)OC(COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C |