LPZ
Summary
| Name: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone |
| Formula: | C14 H21 N2 O2 |
| Formal charge: | 1 |
| Formula weight: | 249.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1 |
| InChIKey | InChI | 1.03 | GIIIJZOPGUFGBF-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2 |
| SMILES | CACTVS | 3.385 | C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C |
