LBJ
Summary
| Name: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| Formula: | C12 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 202.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methoxy-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3 |
| InChIKey | InChI | 1.06 | QYMDEOQLJUUNOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]c3CNCCc3c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2[nH]c3CNCCc3c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c3c([nH]2)CNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c3c([nH]2)CNCC3 |
