NNX
Summary
| Name: | 2-(aminomethyl)-4-chloro-1-methylpyridinium |
| Formula: | C7 H10 Cl N2 |
| Formal charge: | 1 |
| Formula weight: | 157.621 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(aminomethyl)-4-chloro-1-methylpyridinium |
| OpenEye OEToolkits | 1.7.0 | (4-chloro-1-methyl-pyridin-1-ium-2-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc[n+](c(c1)CN)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[n+]1ccc(Cl)cc1CN |
| SMILES | CACTVS | 3.370 | C[n+]1ccc(Cl)cc1CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[n+]1ccc(cc1CN)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | C[n+]1ccc(cc1CN)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H10ClN2/c1-10-3-2-6(8)4-7(10)5-9/h2-4H,5,9H2,1H3/q+1 |
| InChIKey | InChI | 1.03 | LNGYGZSEXVDQEO-UHFFFAOYSA-N |
