| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1 |
| InChIKey | InChI | 1.06 | ZNCUMLJVNWXVLT-ISNKGDJGSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@]1(COC(C)=O)[C@H]2CC[N@@H+](CCc3c1[nH]c4ccccc34)C\C2=C\C |
| SMILES | CACTVS | 3.385 | COC(=O)[C]1(COC(C)=O)[CH]2CC[NH+](CCc3c1[nH]c4ccccc34)CC2=CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC=C1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@]([C@H]1CC2)(COC(=O)C)C(=O)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC=C1C[NH+]2CCc3c4ccccc4[nH]c3C(C1CC2)(COC(=O)C)C(=O)OC |
