| PDB CCD ID: | DF5 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H15 N2 O4 S |
| InChI: | InChI=1S/C17H15N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h2-11H,1H3,(H2,18,21,22)/q+1 |
| InChIKey: | DUMRKZDLHIONQC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N | | CACTVS 3.385 | COc1ccc2c(ccc[n+]2C(=O)c3ccc(cc3)[S](N)(=O)=O)c1 | | ACDLabs 12.01 | O=S(=O)(N)c1ccc(cc1)C(=O)[n+]2cccc3c2ccc(c3)OC |
|
| Name: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium |
| ZINC: | ZINC000263620376 |
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