C5E
Summary
| Name: | (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE |
| Synonyms: | CYTISINE |
| Formula: | C11 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 190.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=CC=C2N1CC3CNCC2C3 |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | ANJTVLIZGCUXLD-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12 |
| SMILES | CACTVS | 3.370 | O=C1C=CC=C2[CH]3CNC[CH](C3)CN12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C2CNCC1C3=CC=CC(=O)N3C2 |
