MPP+   

GtoPdb Ligand ID: 4568

Synonyms: 1-methyl-4-phenylpyridinium | cyperquat
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 3.88
Molecular weight 170.1
XLogP 4.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C[n+]1ccc(cc1)c1ccccc1
Isomeric SMILES C[n+]1ccc(cc1)c1ccccc1
InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChI Key FMGYKKMPNATWHP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-methyl-4-phenylpyridin-1-ium
Synonyms
1-methyl-4-phenylpyridinium | cyperquat
Database Links
CAS Registry No. 48134-75-4 (source: Scifinder)
ChEMBL Ligand CHEMBL311617
GtoPdb PubChem SID 178101289
PubChem CID 39484
Search Google for chemical match using the InChIKey FMGYKKMPNATWHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FMGYKKMPNATWHP
Search UniChem for chemical match using the InChIKey FMGYKKMPNATWHP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FMGYKKMPNATWHP
Wikipedia MPP%2B