AHK
Summary
| Name: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium |
| Formula: | C24 H25 Cl N3 |
| Formal charge: | 1 |
| Formula weight: | 390.928 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H24ClN3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25)16-26-14-13-24-27-22-9-5-6-10-23(22)28-24/h3-12,15,26H,2,13-14,16H2,1H3,(H,27,28)/p+1 |
| InChIKey | InChI | 1.03 | KRBLCAFSNUMAQS-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccccc1c2ccc(C[NH2+]CCc3[nH]c4ccccc4n3)cc2Cl |
| SMILES | CACTVS | 3.385 | CCc1ccccc1c2ccc(C[NH2+]CCc3[nH]c4ccccc4n3)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3 |
