A1H5C
Summary
| Name: | Amprolium |
| Synonyms: | 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-amine |
| Formula: | C14 H19 N4 |
| Formal charge: | 1 |
| Formula weight: | 243.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1 |
| InChIKey | InChI | 1.06 | IPZFPROOBOUEIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1ncc(C[n+]2ccccc2C)c(N)n1 |
| SMILES | CACTVS | 3.385 | CCCc1ncc(C[n+]2ccccc2C)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1ncc(c(n1)N)C[n+]2ccccc2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1ncc(c(n1)N)C[n+]2ccccc2C |
