Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	63702
Common Name:	4-[4-(dimethylamino)styryl]-N-methylpyridinium iodide
Systematic Name:	4-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-1-methylpyridinium iodide
Synonyms:	4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide; 4-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-1-methylpyridinium iodide [PubChem Synonyms]
Exact Mass:	366.0593 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C16H19IN2
InChIKey:	UJNFDSOJKNOBIA-UHFFFAOYSA-M
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Styrenes [C0000037]
ClassyFire direct parent:	Styrenes [C0000037]
SMILES:	CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1.[I-]
Studies:	-

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Human Pathway links:

REACTOME pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y