S9T
Summary
| Name: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
| Synonyms: | S-Tetrahydropapaverine |
| Formula: | C20 H25 N O4 |
| Formal charge: | 0 |
| Formula weight: | 343.417 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | YXWQTVWJNHKSCC-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc23)cc1OC |
| SMILES | CACTVS | 3.385 | COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2)OC)OC |
