N-(3-triethylammoniumpropyl)-4-(4-(diethylamino)styryl)pyridinium dibromide , CAS No.336185-20-7

CAS: 336185-20-7 Cat. No.: T1373394 Molecular Weight: 555.432 PubChem CID: 6508730

Synonyms

4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE | 3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide | CHEMBL257643 | SCHEMBL1527145 | AKOS000814322 | DA-70016

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE | 3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide | CHEMBL257643 | SCHEMBL1527145 | AKOS000814322 | DA-70016

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCN(CC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
• IUPAC Name: 3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
• InChIKey: HLNKJDYNEWLULB-UHFFFAOYSA-L
• INCHI: 1S/C26H41N3.2BrH/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5;;/h12-19,21-22H,6-11,20,23H2,1-5H3;2*1H/q+2;;/p-2
• Isomeric SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
• PubChem CID: 6508730
• Molecular Weight: 555.432

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Pyridinium derivatives Tetraalkylammonium salts Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyridine - Pyridinium - Quaternary ammonium salt - Tetraalkylammonium salt - Heteroaromatic compound - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic salt - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organic bromide salt - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Not available

Data sources

1. 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. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y