TVP
Summary
| Name: | (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE |
| Formula: | C12 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 189.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2S)-2-methyl-3,4-dihydroquinolin-1(2H)-yl]ethanone |
| OpenEye OEToolkits | 1.9.2 | 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N2c1ccccc1CCC2C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | IJTWYLGCGAIGAQ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCc2ccccc2N1C(C)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCc2ccccc2N1C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1CCc2ccccc2N1C(=O)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1CCc2ccccc2N1C(=O)C |
