HUB
Summary
| Name: | HUPERZINE B |
| Formula: | C16 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 256.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=CC2=C(N1)CC3C=C(CC24NCCCC34)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@]4(C1)NCCC[C@H]24 |
| SMILES | CACTVS | 3.341 | CC1=C[CH]2CC3=C(C=CC(=O)N3)[C]4(C1)NCCC[CH]24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4 |
| InChI | InChI | 1.03 | InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1 |
| InChIKey | InChI | 1.03 | YYWGABLTRMRUIT-HWWQOWPSSA-N |
