JJQ
Summary
| Name: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole |
| Formula: | C14 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 216.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20N2/c1-12(2)9-13(3)10-7-5-6-8-11(10)15-14(13,4)16-12/h5-8,15-16H,9H2,1-4H3/t13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | DUUDIYIPNBFHFB-KBPBESRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C[C@@]2(C)c3ccccc3N[C@@]2(C)N1 |
| SMILES | CACTVS | 3.385 | CC1(C)C[C]2(C)c3ccccc3N[C]2(C)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC2(c3ccccc3NC2(N1)C)C)C |
