| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCN(C)C)c1c3c(ccc1)c(c2cccc(Br)c2[nH+]3)[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c([NH3+])c3cccc(Br)c3[nH+]c12 |
| SMILES | CACTVS | 3.341 | CN(C)CCNC(=O)c1cccc2c([NH3+])c3cccc(Br)c3[nH+]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br |
| InChI | InChI | 1.03 | InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2 |
| InChIKey | InChI | 1.03 | NROQPXQSDDINMC-UHFFFAOYSA-P |
