| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1 |
| InChIKey | InChI | 1.03 | OTSOOHRUMBRSHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13 |
| SMILES | CACTVS | 3.385 | COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC |
