| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NCCN)Cc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCN[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCN[CH](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NCCN |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NCCN |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O2/c14-5-6-15-12(13(17)18)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,15-16H,5-7,14H2,(H,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | UBMBKENWHLNSDC-LBPRGKRZSA-N |
