1SS
Summary
| Name: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium |
| Formula: | C14 H26 N |
| Formal charge: | 1 |
| Formula weight: | 208.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium |
| OpenEye OEToolkits | 1.7.6 | (4aS,7S,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-1-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=C(\C1CCC2(C(C1)[NH+](C)CCC2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H25N/c1-11(2)12-6-8-14(3)7-5-9-15(4)13(14)10-12/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | HQXXDILNZLFDML-BFHYXJOUSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | C[NH+]1CCC[C@]2(C)CC[C@@H](C[C@@H]12)C(C)=C |
| SMILES | CACTVS | 3.370 | C[NH+]1CCC[C]2(C)CC[CH](C[CH]12)C(C)=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=C)C1CCC2(CCC[NH+](C2C1)C)C |
