AOW
Summary
| Name: | [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium |
| Formula: | C24 H24 Cl N4 O2 |
| Formal charge: | 1 |
| Formula weight: | 435.926 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H24ClN4O2/c1-2-17-6-3-4-7-18(17)19-11-10-16(14-20(19)25)15-26-13-12-23-27-21-8-5-9-22(29(30)31)24(21)28-23/h3-11,14,26H,2,12-13,15H2,1H3,(H,27,28)(H,30,31)/q+1 |
| InChIKey | InChI | 1.03 | ZWQQIHSRGSCGEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccccc1c2ccc(CNCCc3[nH]c4c(cccc4[N+](O)=O)n3)cc2Cl |
| SMILES | CACTVS | 3.385 | CCc1ccccc1c2ccc(CNCCc3[nH]c4c(cccc4[N+](O)=O)n3)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O |
