Z3O
Summary
| Name: | (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole |
| Formula: | C15 H18 N2 |
| Formal charge: | 0 |
| Formula weight: | 226.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole |
| OpenEye OEToolkits | 2.0.7 | 3-[[(4~{R})-4-methyl-3,4-dihydro-2~{H}-pyridin-1-yl]methyl]-3~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1C=CN(CC2C=Nc3ccccc23)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H18N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-6,8,10,12-13H,7,9,11H2,1H3/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | WHQXGKWROUWUGC-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCN(C[C@H]2C=Nc3ccccc23)C=C1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCN(C[CH]2C=Nc3ccccc23)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCN(C=C1)CC2C=Nc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN(C=C1)CC2C=Nc3c2cccc3 |
