| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O(C3c1ccccc1CCc2ccccc23)C6CC5[NH+](Cc4ccccc4)C(CC5)C6 |
| SMILES_CANONICAL | CACTVS | 3.352 | C1C[C@H]2CC(C[C@@H]1[NH+]2Cc3ccccc3)OC4c5ccccc5CCc6ccccc46 |
| SMILES | CACTVS | 3.352 | C1C[CH]2CC(C[CH]1[NH+]2Cc3ccccc3)OC4c5ccccc5CCc6ccccc46 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H]2CC(C3)OC4c5ccccc5CCc6c4cccc6 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C[NH+]2C3CCC2CC(C3)OC4c5ccccc5CCc6c4cccc6 |
| InChI | InChI | 1.03 | InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2/p+1/t24-,25+,26+ |
| InChIKey | InChI | 1.03 | DZOFIEFQFCWGIY-GPOLMCQNSA-O |
