XNO
Summary
| Name: | xanomeline |
| Synonyms: | (5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine |
| Formula: | C14 H23 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 281.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine |
| OpenEye OEToolkits | 2.0.7 | 3-hexoxy-4-(1-methyl-3,6-dihydro-2~{H}-pyridin-5-yl)-1,2,5-thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1CCC=C(C1)c1nsnc1OCCCCCC |
| InChI | InChI | 1.06 | InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3 |
| InChIKey | InChI | 1.06 | JOLJIIDDOBNFHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOc1nsnc1C2=CCCN(C)C2 |
| SMILES | CACTVS | 3.385 | CCCCCCOc1nsnc1C2=CCCN(C)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1c(nsn1)C2=CCCN(C2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1c(nsn1)C2=CCCN(C2)C |
