Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C |
SMILES | CACTVS | 3.341 | CCCCCCCC(=O)O[CH](CC(O)=O)C[N+](C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1 |
InChIKey | InChI | 1.03 | CXTATJFJDMJMIY-CYBMUJFWSA-O |