7ML
Summary
| Name: | [(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
| Formula: | C17 H20 N O2 |
| Formal charge: | 1 |
| Formula weight: | 270.346 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19NO2/c18-16-10-9-13-7-4-8-14(12-5-2-1-3-6-12)15(13)11-17(16,19)20/h1-8,16,19-20H,9-11,18H2/p+1/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | AZBPYAIQTJCURJ-INIZCTEOSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+][C@H]1CCc2cccc(c3ccccc3)c2CC1(O)O |
| SMILES | CACTVS | 3.385 | [NH3+][CH]1CCc2cccc(c3ccccc3)c2CC1(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cccc3c2CC(C(CC3)[NH3+])(O)O |
