6TX
Summary
| Name: | 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium |
| Formula: | C14 H20 N3 O2 S |
| Formal charge: | 1 |
| Formula weight: | 294.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O2S/c1-2-9-17(10-7-15)20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11H,2,7,9-10,15H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | KYMSHJLROPBLLU-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN(CC[NH3+])[S](=O)(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.385 | CCCN(CC[NH3+])[S](=O)(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2 |
