| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCNC1=Nc2c(C(=O)N1)n(c[n+]2CCCCC(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C16H23N5O5/c1-20-10-21(9-5-3-7-12(24)25)14-13(20)15(26)19-16(18-14)17-8-4-2-6-11(22)23/h10H,2-9H2,1H3,(H3-,17,18,19,22,23,24,25,26)/p+1 |
| InChIKey | InChI | 1.03 | SFCJOCVKLRCOMS-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c[n+](CCCCC(O)=O)c2N=C(NCCCCC(O)=O)NC(=O)c12 |
| SMILES | CACTVS | 3.385 | Cn1c[n+](CCCCC(O)=O)c2N=C(NCCCCC(O)=O)NC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O |
