F2W
Summary
| Name: | 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium |
| Formula: | C12 H18 N O2 |
| Formal charge: | 1 |
| Formula weight: | 208.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3/p+1 |
| InChIKey | InChI | 1.03 | TXPPKWZEHFNZOE-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CC[NH+](C)Cc2cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc2CC[NH+](C)Cc2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH+]1CCc2cc(c(cc2C1)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | C[NH+]1CCc2cc(c(cc2C1)OC)OC |
