| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H29NO3/c28-26(29)12-5-16-27-17-13-21-9-4-11-25(24(21)14-18-27)30-19-15-22-8-3-7-20-6-1-2-10-23(20)22/h1-4,6-11H,5,12-19H2,(H,28,29)/p+1 |
| InChIKey | InChI | 1.06 | XIMAYLMGLVYUOJ-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC[NH+]1CCc2cccc(OCCc3cccc4ccccc34)c2CC1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC[NH+]1CCc2cccc(OCCc3cccc4ccccc34)c2CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CCOc3cccc4c3CC[NH+](CC4)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CCOc3cccc4c3CC[NH+](CC4)CCCC(=O)O |
