A1IZH
Summary
| Name: | (1~{Z},2~{S})-1-[(~{E})-3-(2-hydroxyphenyl)prop-2-enylidene]-1$l^{4}-azolidine-2-carbaldehyde |
| Formula: | C14 H16 N O2 |
| Formal charge: | 1 |
| Formula weight: | 230.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{Z},2~{S})-1-[(~{E})-3-(2-hydroxyphenyl)prop-2-enylidene]pyrrolidin-1-ium-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15NO2/c16-11-13-7-4-10-15(13)9-3-6-12-5-1-2-8-14(12)17/h1-3,5-6,8-9,11,13H,4,7,10H2/p+1/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | JBRXZQVMNONUDZ-ZDUSSCGKSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1\C=C\C=[N+]/2CCC[C@H]/2C=O |
| SMILES | CACTVS | 3.385 | Oc1ccccc1C=CC=[N+]2CCC[CH]2C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)/C=C/C=[N+]\2/CCC[C@H]2C=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C=CC=[N+]2CCCC2C=O)O |
