MQS
Summary
| Name: | [(3S)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone |
| Formula: | C15 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 255.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3S)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone |
| OpenEye OEToolkits | 1.7.6 | [(3S)-3-methylpiperidin-1-yl]-quinoxalin-6-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2cc1nccnc1cc2)N3CCCC(C)C3 |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O/c1-11-3-2-8-18(10-11)15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-7,9,11H,2-3,8,10H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | HFURVWIZXOIASJ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1CCCN(C1)C(=O)c2ccc3nccnc3c2 |
| SMILES | CACTVS | 3.370 | C[CH]1CCCN(C1)C(=O)c2ccc3nccnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCCN(C1)C(=O)c2ccc3c(c2)nccn3 |
