[3H]hemicholinium-3   

GtoPdb Ligand ID: 4493

Synonyms: [3H]-HC-3  | [3H]-hemicholinium-3 | [3H]HC-3
   
Compound class: Synthetic organic
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-].[Br-]
Isomeric SMILES OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-].[Br-]
InChI InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2
InChI Key OPYKHUMNFAMIBL-UHFFFAOYSA-L
Classification
Compound class Synthetic organic
IUPAC Name
2-hydroxy-2-{4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl}-4,4-dimethylmorpholin-4-ium dibromide
Synonyms
[3H]-HC-3  | [3H]-hemicholinium-3 | [3H]HC-3
Database Links
ChEMBL Ligand CHEMBL197027
GtoPdb PubChem SID 178101221
PubChem CID 9399
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Wikipedia Hemicholinium-3