| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(\C(=[NH+]/CC)C=2)C)cc(c(c3)C)NCC |
| InChI | InChI | 1.03 | InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1/b30-24- |
| InChIKey | InChI | 1.03 | IWWWBRIIGAXLCJ-KRUMMXJUSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1cc2OC3=CC(=[NH+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C |
| SMILES | CACTVS | 3.385 | CCNc1cc2OC3=CC(=[NH+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)c4ccccc4C(=O)OCC |
