8O0
Summary
| Name: | Hapalindole A |
| Formula: | C21 H23 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 338.874 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/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1 |
| InChIKey | InChI | 1.03 | UGBGKUYYYCTXAK-DJNKVENRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@H]2C[C@@H](Cl)[C@](C)(C=C)[C@H]([N+]#[C-])[C@H]2c3c[nH]c4cccc1c34 |
| SMILES | CACTVS | 3.385 | CC1(C)[CH]2C[CH](Cl)[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(c2cccc3c2c(c[nH]3)C4C1CC(C(C4[N+]#[C-])(C)C=C)Cl)C |
