| PDB CCD ID: | PIU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H21 N2 O2 S |
| InChI: | InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1 |
| InChIKey: | UXBCHTZINZNVRG-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | Cc1cc(C)[n+](CCc2ccc(cc2)[S](N)(=O)=O)c(C)c1 | | ACDLabs 10.04 | O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc2C)C)C | | OpenEye OEToolkits 1.5.0 | Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C |
|
| Name: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM;
1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM |
| ChEMBL: | CHEMBL1184499 |
| DrugBank: | DB04763 |
| ZINC: | ZINC000012504500 |
umich.edu