4VU
Summary
| Name: | (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane |
| Formula: | C12 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 188.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-pyridin-3-yl-1-azabicyclo[2.2.2]octane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cncc(c1)C2N3CCC(C2)CC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | YJYPZLAZNIGNRP-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN2CCC1C[C@@H]2c3cccnc3 |
| SMILES | CACTVS | 3.385 | C1CN2CCC1C[CH]2c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)[C@H]2CC3CCN2CC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)C2CC3CCN2CC3 |
