QGK
Summary
| Name: | (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| Formula: | C12 H14 N2 |
| Formal charge: | 0 |
| Formula weight: | 186.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | LPIJOZBIVDCQTE-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1NCCc2c1[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | C[CH]1NCCc2c1[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1c2c(c3ccccc3[nH]2)CCN1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2c(c3ccccc3[nH]2)CCN1 |
