15Y
Summary
| Name: | (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid |
| Formula: | C10 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 227.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid |
| OpenEye OEToolkits | 1.7.6 | (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1cccc2c1NCC(C2)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3S/c1-7-5-8-3-2-4-9(15(12,13)14)10(8)11-6-7/h2-4,7,11H,5-6H2,1H3,(H,12,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | HDGVSYYMMRPVBX-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1CNc2c(C1)cccc2[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | C[CH]1CNc2c(C1)cccc2[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1Cc2cccc(c2NC1)S(=O)(=O)O |
