| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1ccc(OC)cc1)c2ccccc2C[NH2+]Cc3ccc4OCOc4c3C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C25H24N2O6/c1-31-19-9-6-16(7-10-19)12-27-24(28)20-5-3-2-4-17(20)13-26-14-18-8-11-21-23(33-15-32-21)22(18)25(29)30/h2-11,26H,12-15H2,1H3,(H,27,28)(H,29,30)/p+1 |
| InChIKey | InChI | 1.03 | KFDRXOMFDTWNBI-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNC(=O)c2ccccc2C[NH2+]Cc3ccc4OCOc4c3C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CNC(=O)c2ccccc2C[NH2+]Cc3ccc4OCOc4c3C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4 |
