| PDB CCD ID: | YSQ |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C29 H25 N7 O2 |
| InChI: | InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2 |
| InChIKey: | CVURQMOLKNHXLB-UHFFFAOYSA-P |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21 | | OpenEye OEToolkits 2.0.7 | C[n+]1c2c(c(cc1)/C=N/NC(=O)c3nc(ccc3)C(=O)N/N=C/c4c5c([n+](cc4)C)cccc5)cccc2 | | OpenEye OEToolkits 2.0.7 | C[n+]1ccc(c2c1cccc2)C=NNC(=O)c3cccc(n3)C(=O)NN=Cc4cc[n+](c5c4cccc5)C | | CACTVS 3.385 | C[n+]1ccc(\C=N\NC(=O)c2cccc(n2)C(=O)N/N=C/c3cc[n+](C)c4ccccc34)c5ccccc15 | | CACTVS 3.385 | C[n+]1ccc(C=NNC(=O)c2cccc(n2)C(=O)NN=Cc3cc[n+](C)c4ccccc34)c5ccccc15 |
|
| Name: | 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium) |
