| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C1(CO)C2Cc3c(C4CC1C(=C\C)/C[N+]24C)n(C)c1c(OC)cccc31 |
| InChI | InChI | 1.03 | InChI=1S/C24H31N2O4/c1-6-14-12-26(3)18-11-17(14)24(13-27,23(28)30-5)20(26)10-16-15-8-7-9-19(29-4)22(15)25(2)21(16)18/h6-9,17-18,20,27H,10-13H2,1-5H3/q+1/b14-6-/t17-,18-,20-,24+,26-/m0/s1 |
| InChIKey | InChI | 1.03 | LXYOQAOPFZZHKS-ROHZQTCMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@]1(CO)[C@H]2C[C@H]3c4n(C)c5c(OC)cccc5c4C[C@@H]1[N@@+]3(C)C\C2=C\C |
| SMILES | CACTVS | 3.385 | COC(=O)[C]1(CO)[CH]2C[CH]3c4n(C)c5c(OC)cccc5c4C[CH]1[N+]3(C)CC2=CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C\1/C[N@@+]2([C@H]3Cc4c5cccc(c5n(c4[C@@H]2C[C@@H]1[C@@]3(CO)C(=O)OC)C)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C1C[N+]2(C3Cc4c5cccc(c5n(c4C2CC1C3(CO)C(=O)OC)C)OC)C |
