| PDB CCD ID: | EKM |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C21 H20 N2 S |
| InChI: | InChI=1S/C21H20N2S/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-12,14-15H,13H2,1-2H3/q+2/b8-7+ |
| InChIKey: | BUHZEFGMJCIGHQ-BQYQJAHWSA-N |
| SMILES: | C[n+]1ccc(c2c1cccc2)C=CCc3[n+](c4ccccc4s3)C; C[n+]1ccc(/C=C/Cc2sc3ccccc3[n+]2C)c4ccccc14; C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C; C[n+]1ccc(C=CCc2sc3ccccc3[n+]2C)c4ccccc14; C[n+]4ccc([C@H]=[C@H]Cc2sc1ccccc1[n+]2C)c3c4cccc3 |
| Name: | 1-methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium |
Reference: