| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(C3)[NH3+])C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(N)C(=O)c2c(C)c3C[C@@H]([NH3+])Cn3c2C1=O |
| SMILES | CACTVS | 3.341 | CC1=C(N)C(=O)c2c(C)c3C[CH]([NH3+])Cn3c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)C[C@@H](C2)[NH3+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)CC(C2)[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O2/c1-5-8-3-7(14)4-16(8)11-9(5)13(18)10(15)6(2)12(11)17/h7H,3-4,14-15H2,1-2H3/p+1/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | FHXCUQTVFUPSTK-SSDOTTSWSA-O |
