trans-4-[4-(Dimethylamino)styryl]-1-adamantylpyridinium bromide

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C25H31N2.BrH/c1-26(2)24-7-5-19(6-8-24)3-4-20-9-11-27(12-10-20)25-16-21-13-22(17-25)15-23(14-21)18-25;/h3-12,21-23H,13-18H2,1-2H3;1H/q+1;/p-1, and canonical SMILES descriptor[cheminf_000007]: CN(c1ccc(cc1)/C=C/c1cc[n+](cc1)C12CC3CC(C2)CC(C1)C3)C.[Br-], and by the IUPAC name[cheminf_000107]: 4-[(E)-2-[1-(1-adamantyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;bromide. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-14865 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: ComP-15744 Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations