KWQ
Summary
| Name: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| Formula: | C15 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 228.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H20N2/c1-10(2)9-14-15-12(7-8-16-14)11-5-3-4-6-13(11)17-15/h3-6,10,14,16-17H,7-9H2,1-2H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | XGCZMXRLVHTZLR-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]1NCCc2c1[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1NCCc2c1[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1c2c(c3ccccc3[nH]2)CCN1 |
