7MK
Summary
| Name: | [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
| Formula: | C11 H16 N O2 |
| Formal charge: | 1 |
| Formula weight: | 194.25 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO2/c12-10-6-5-8-3-1-2-4-9(8)7-11(10,13)14/h1-4,10,13-14H,5-7,12H2/p+1/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | DUYOIJVXOKTLQG-JTQLQIEISA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+][C@H]1CCc2ccccc2CC1(O)O |
| SMILES | CACTVS | 3.385 | [NH3+][CH]1CCc2ccccc2CC1(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CCC(C(C2)(O)O)[NH3+] |
