S87
Summary
| Name: | ondansetron |
| Synonyms: | 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1~{H}-carbazol-4-one |
| Formula: | C18 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 293.363 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1~{H}-carbazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 |
| InChIKey | InChI | 1.03 | FELGMEQIXOGIFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2CC[C@H](Cn3ccnc3C)C(=O)c2c4ccccc14 |
| SMILES | CACTVS | 3.385 | Cn1c2CC[CH](Cn3ccnc3C)C(=O)c2c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O |
