| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(CC(=O)O)CC[NH3+])CN1C=C(I)C(=O)NC1=O |
| SMILES_CANONICAL | CACTVS | 3.341 | [NH3+]CCN(CC(O)=O)C(=O)CN1C=C(I)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | [NH3+]CCN(CC(O)=O)C(=O)CN1C=C(I)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I |
| InChI | InChI | 1.03 | InChI=1S/C10H13IN4O5/c11-6-3-15(10(20)13-9(6)19)4-7(16)14(2-1-12)5-8(17)18/h3H,1-2,4-5,12H2,(H,17,18)(H,13,19,20)/p+1 |
| InChIKey | InChI | 1.03 | OQZZDVVRGNVUJR-UHFFFAOYSA-O |
