| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C23H27N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,13,19,24H,9-12,14H2,1-3H3/q+1/b16-4-/t19-,23-/m0/s1 |
| InChIKey | InChI | 1.06 | YCGQEMDBJBQBSW-ISNKGDJGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@]1(COC(C)=O)[C@H]\2CC[N@+](=CC\2=C/C)CCc3c1[nH]c4ccccc34 |
| SMILES | CACTVS | 3.385 | COC(=O)[C]1(COC(C)=O)[CH]2CC[N+](=CC2=CC)CCc3c1[nH]c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C=C\1/C=[N+]2CCc3c4ccccc4[nH]c3[C@@]([C@H]1CC2)(COC(=O)C)C(=O)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC=C1C=[N+]2CCc3c4ccccc4[nH]c3C(C1CC2)(COC(=O)C)C(=O)OC |
