KW8
Summary
| Name: | (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| Formula: | C13 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 200.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-6,11,14-15H,2,7-8H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | FJPPZKPWCBEAMQ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H]1NCCc2c1[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC[CH]1NCCc2c1[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]1c2c(c3ccccc3[nH]2)CCN1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1c2c(c3ccccc3[nH]2)CCN1 |
