Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(C1CCCCCCCCCCCC1)C2OC(CC(N(C)C)C2O)C |
SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H]1C[C@@H]([C@@H](O)[C@@H](O1)OC2CCCCCCCCCCCC2)N(C)C |
SMILES | CACTVS | 3.352 | C[CH]1C[CH]([CH](O)[CH](O1)OC2CCCCCCCCCCCC2)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1CC(C(C(O1)OC2CCCCCCCCCCCC2)O)N(C)C |
InChI | InChI | 1.03 | InChI=1S/C21H41NO3/c1-17-16-19(22(2)3)20(23)21(24-17)25-18-14-12-10-8-6-4-5-7-9-11-13-15-18/h17-21,23H,4-16H2,1-3H3/t17-,19+,20-,21+/m1/s1 |
InChIKey | InChI | 1.03 | LWQXCAWVTFBYID-PMXSJFBMSA-N |