B2Q
Summary
| Name: | (2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine |
| Formula: | C19 H30 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 318.454 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S,3R,5S,11bR)-3-butyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1N |
| SMILES | CACTVS | 3.352 | CCCC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCC[C@@H]1C[N@@]2CCc3cc(c(cc3[C@H]2C[C@@H]1N)OC)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCC1CN2CCc3cc(c(cc3C2CC1N)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C19H30N2O2/c1-4-5-6-14-12-21-8-7-13-9-18(22-2)19(23-3)10-15(13)17(21)11-16(14)20/h9-10,14,16-17H,4-8,11-12,20H2,1-3H3/t14-,16+,17-/m1/s1 |
| InChIKey | InChI | 1.03 | IYTDSNSLAQHLJL-HYVNUMGLSA-N |
