BM0
Summary
| Name: | 1-butyl-3-methyl-1H-imidazol-3-ium |
| Synonyms: | 1-butyl-3-methylimidazolium |
| Formula: | C8 H15 N2 |
| Formal charge: | 1 |
| Formula weight: | 139.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-butyl-3-methyl-1H-imidazol-3-ium |
| OpenEye OEToolkits | 1.9.2 | 1-butyl-3-methyl-imidazol-3-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)CCn1cc[n+](c1)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1 |
| InChIKey | InChI | 1.03 | IQQRAVYLUAZUGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCn1cc[n+](C)c1 |
| SMILES | CACTVS | 3.385 | CCCCn1cc[n+](C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCn1cc[n+](c1)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCn1cc[n+](c1)C |
