MIZ
Summary
| Name: | 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium |
| Formula: | C13 H18 N3 |
| Formal charge: | 1 |
| Formula weight: | 216.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium |
| OpenEye OEToolkits | 1.5.0 | 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethyl-pyridin-1-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(cnc1)CC[n+]2c(cc(cc2C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(C)[n+](CCc2c[nH]cn2)c(C)c1 |
| SMILES | CACTVS | 3.341 | Cc1cc(C)[n+](CCc2c[nH]cn2)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C |
| InChI | InChI | 1.03 | InChI=1S/C13H18N3/c1-10-6-11(2)16(12(3)7-10)5-4-13-8-14-9-15-13/h6-9H,4-5H2,1-3H3,(H,14,15)/q+1 |
| InChIKey | InChI | 1.03 | OTRDYFGWTSDQPE-UHFFFAOYSA-N |
