P9I
Summary
| Name: | 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE |
| Formula: | C15 H13 N2 O |
| Formal charge: | 1 |
| Formula weight: | 237.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3Z)-3-(1-hydroxyethylidene)-1-(pyridin-2-yl)-3H-indolizinium |
| OpenEye OEToolkits | 1.9.2 | (1Z)-1-(1-pyridin-2-ylindolizin-4-ium-3-ylidene)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O\C(=C2\C=C(c1ncccc1)c3cccc[n+]23)C |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O/c1-11(18)15-10-12(13-6-2-4-8-16-13)14-7-3-5-9-17(14)15/h2-10H,1H3/p+1 |
| InChIKey | InChI | 1.03 | WOSGOHDUUBVSBO-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(/O)=C/1C=C(c2ccccn2)c3cccc[n+]/13 |
| SMILES | CACTVS | 3.385 | CC(O)=C1C=C(c2ccccn2)c3cccc[n+]13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=C1C=C(c2[n+]1cccc2)c3ccccn3)O |
