AJM
Summary
| Name: | AJMALINE |
| Formula: | C18 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 298.379 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC2C14c6ccccc6N(C1C5N3C(O)CC(C2C3C4)C5)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1[C@H]2[C@@H]3C[C@H]4C[C@H](O)N3[C@H]5C[C@@]2([C@H](O)[C@@H]45)c6ccccc16 |
| SMILES | CACTVS | 3.341 | CN1[CH]2[CH]3C[CH]4C[CH](O)N3[CH]5C[C]2([CH](O)[CH]45)c6ccccc16 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2ccccc2C34C1C5CC6CC(N5C(C3)C6C4O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H22N2O2/c1-19-11-5-3-2-4-10(11)18-8-13-15(17(18)22)9-6-12(16(18)19)20(13)14(21)7-9/h2-5,9,12-17,21-22H,6-8H2,1H3/t9-,12-,13-,14-,15-,16-,17+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | CFEPCEVMXPTZPJ-OGDRVKPDSA-N |
