Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1 |
InChIKey | InChI | 1.03 | AZEAMUNCULVBPK-PSXMRANNSA-O |