| PDB CCD ID: | HZG |
| Number of entries in FURNA: | 4 |
| Chemical formula: | C21 H20 N2 O S |
| InChI: | InChI=1S/C21H20N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-12H,13-14H2,1-2H3/q+2 |
| InChIKey: | HTPXDOYVWJQKFJ-UHFFFAOYSA-N |
| SMILES: | CC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4ccccc14; c3cc(Cc1[n+](CC(C)=O)c2c(s1)cccc2)c4c([n+]3C)cccc4; CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C |
| Name: | 1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium |
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