4WT
Summary
| Name: | 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline |
| Formula: | C11 H15 N |
| Formal charge: | 0 |
| Formula weight: | 161.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline |
| OpenEye OEToolkits | 1.9.2 | 4,4-dimethyl-2,3-dihydro-1H-isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2NCc1ccccc1C2(C)C |
| InChI | InChI | 1.03 | InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3 |
| InChIKey | InChI | 1.03 | QOWZBQAJZICMKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CNCc2ccccc12 |
| SMILES | CACTVS | 3.385 | CC1(C)CNCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1(CNCc2c1cccc2)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(CNCc2c1cccc2)C |
