| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | [O-]C(=O)c2c(NC1CCCNC1)ccc(Br)c2 |
| SMILES_CANONICAL | CACTVS | 3.352 | [O-]C(=O)c1cc(Br)ccc1N[C@H]2CCCNC2 |
| SMILES | CACTVS | 3.352 | [O-]C(=O)c1cc(Br)ccc1N[CH]2CCCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Br)C(=O)[O-])NC2CCCNC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/p-1/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | DFYNENBDVWMLFE-VIFPVBQESA-M |
