| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OC1CC2[N+](C(C1)C3OC23)(C)C)C(c4ccccc4)CO |
| InChI | InChI | 1.03 | InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 |
| InChIKey | InChI | 1.03 | LZCOQTDXKCNBEE-IKIFYQGPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4 |
| SMILES | CACTVS | 3.385 | C[N+]1(C)[CH]2CC(C[CH]1[CH]3O[CH]23)OC(=O)[CH](CO)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4)C |
