I33
Summary
| Name: | 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide |
| Formula: | C16 H17 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 320.837 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]-7-chloranyl-1-benzothiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | SSRDSYXGYPJKRR-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc2cc(sc12)C(=O)N[C@H]3CN4CCC3CC4 |
| SMILES | CACTVS | 3.385 | Clc1cccc2cc(sc12)C(=O)N[CH]3CN4CCC3CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(sc2c(c1)Cl)C(=O)NC3CN4CCC3CC4 |
