| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NCc1[n+](cccc1)C)C3N(C(=O)C(N)Cc2ccccc2)CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C21H26N4O2/c1-24-12-6-5-10-17(24)15-23-20(26)19-11-7-13-25(19)21(27)18(22)14-16-8-3-2-4-9-16/h2-6,8-10,12,18-19H,7,11,13-15,22H2,1H3/p+1/t18-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | GWFYERFSYVJQNW-MOPGFXCFSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc3ccccc3 |
| SMILES | CACTVS | 3.370 | C[n+]1ccccc1CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C[n+]1ccccc1CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N |
