A1EI0
Summary
| Name: | 1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium |
| Formula: | C27 H45 N2 |
| Formal charge: | 1 |
| Formula weight: | 397.66 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-hexadecyl-2-methyl-3-(phenylmethyl)imidazol-3-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H45N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3/q+1 |
| InChIKey | InChI | 1.06 | ZZXUNAFAKNKXFW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCCn1cc[n+](c1C)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCCn1cc[n+](c1C)Cc2ccccc2 |
