8G2
Summary
| Name: | (4-methoxycarbonylphenyl)methylazanium |
| Formula: | C9 H12 N O2 |
| Formal charge: | 1 |
| Formula weight: | 166.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (4-methoxycarbonylphenyl)methylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | AQBJGAUQEJFPKZ-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(C[NH3+])cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(C[NH3+])cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)C[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)C[NH3+] |
