A9W
Summary
| Name: | [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium |
| Formula: | C14 H15 Cl N O |
| Formal charge: | 1 |
| Formula weight: | 248.728 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClNO/c1-9-2-5-14(17)12(6-9)11-4-3-10(8-16)7-13(11)15/h2-7,17H,8,16H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | NVQGRPSPOJZMIF-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)c(c1)c2ccc(C[NH3+])cc2Cl |
| SMILES | CACTVS | 3.385 | Cc1ccc(O)c(c1)c2ccc(C[NH3+])cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O |
