JF4
Summary
| Name: | (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium |
| Formula: | C14 H26 N |
| Formal charge: | 1 |
| Formula weight: | 208.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium |
| OpenEye OEToolkits | 1.7.6 | (3R,6R,9aR)-6,9a-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,9-octahydro-1H-quinolizin-5-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=C(/C2CCC1(CCCC(C)[NH+]1C2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H25N/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14)10-13/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13+,14-/m1/s1 |
| InChIKey | InChI | 1.03 | YWWMOEVECQBYFY-HZSPNIEDSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1CCC[C@]2(C)CC[C@@H](C[NH+]12)C(C)=C |
| SMILES | CACTVS | 3.370 | C[CH]1CCC[C]2(C)CC[CH](C[NH+]12)C(C)=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCCC2([NH+]1CC(CC2)C(=C)C)C |
