A8Q
Summary
| Name: | [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium |
| Formula: | C16 H19 Cl N |
| Formal charge: | 1 |
| Formula weight: | 260.782 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18ClN/c1-11(2)13-5-3-4-6-14(13)15-8-7-12(10-18)9-16(15)17/h3-9,11H,10,18H2,1-2H3/p+1 |
| InChIKey | InChI | 1.03 | XAFZSQVXSGXDQY-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccccc1c2ccc(C[NH3+])cc2Cl |
| SMILES | CACTVS | 3.385 | CC(C)c1ccccc1c2ccc(C[NH3+])cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+] |
