H19
Summary
| Name: | huprine 19 |
| Formula: | C18 H21 Cl N3 |
| Formal charge: | 1 |
| Formula weight: | 314.832 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/C18H20ClN3/c19-13-1-2-14-15(9-13)22-16-8-11-5-10(3-4-20)6-12(7-11)17(16)18(14)21/h1-2,6,9,11-12H,3-5,7-8,20H2,(H2,21,22)/p+1/t11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | JBGUOIGXEREJEV-NEPJUHHUSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c2ccc(Cl)cc2nc3C[C@H]4C[C@H](C=C(CC[NH3+])C4)c13 |
| SMILES | CACTVS | 3.385 | Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](C=C(CC[NH3+])C4)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)CC(=C4)CC[NH3+] |
