| PDB CCD ID: | DCJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H18 N5 O5 |
| InChI: | InChI=1S/C14H17N5O5/c1-19(2,3-4-20)8-9-7-18(17-16-9)10-5-11(13(21)22)15-12(6-10)14(23)24/h5-7,20H,3-4,8H2,1-2H3,(H-,21,22,23,24)/p+1 |
| InChIKey: | AQWWXXIJXFAABJ-UHFFFAOYSA-O |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(O)=O)C(O)=O | | ACDLabs 12.01 | O=C(O)c1nc(cc(c1)n2nnc(c2)C[N+](CCO)(C)C)C(=O)O | | OpenEye OEToolkits 1.9.2 | C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O |
|
| Name: | N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM;
HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE |
| ZINC: | ZINC000095920600 |
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