8P6
Summary
| Name: | Hapalindole U |
| Formula: | C21 H24 N2 |
| Formal charge: | 0 |
| Formula weight: | 304.429 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1 |
| InChIKey | InChI | 1.03 | SLUFHMQYBPOTFZ-ZRRCRCOKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@H]2CC[C@](C)(C=C)[C@H]([N+]#[C-])[C@@H]2c3c[nH]c4cccc1c34 |
| SMILES | CACTVS | 3.385 | CC1(C)[CH]2CC[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(c2cccc3c2c(c[nH]3)C4C1CCC(C4[N+]#[C-])(C)C=C)C |
