| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCN(C)C)c3cccc2c(c1ccc(Br)cc1[nH+]c23)[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c([NH3+])c3ccc(Br)cc3[nH+]c12 |
| SMILES | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c([NH3+])c3ccc(Br)cc3[nH+]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br |
| InChI | InChI | 1.03 | InChI=1S/C18H19BrN4O/c1-23(2)9-8-21-18(24)14-5-3-4-13-16(20)12-7-6-11(19)10-15(12)22-17(13)14/h3-7,10H,8-9H2,1-2H3,(H2,20,22)(H,21,24)/p+2 |
| InChIKey | InChI | 1.03 | HBKKAYCZISIMFL-UHFFFAOYSA-P |
