KWH
Summary
| Name: | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| Formula: | C14 H18 N2 |
| Formal charge: | 0 |
| Formula weight: | 214.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-7,13,15-16H,2,5,8-9H2,1H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | BBOAWHADGQBLBD-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H]1NCCc2c1[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CCC[CH]1NCCc2c1[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1c2c(c3ccccc3[nH]2)CCN1 |
