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CHEBI:42228 - 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM

Default Structure
ChEBI IDCHEBI:42228
ChEBI Name4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC27H38N2O
Net Charge+2
Average Mass406.614
Monoisotopic Mass406.29732
SMILES[H]C([H])=C([H])C([H])([H])[N+](c1c([H])c([H])c(C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])c2c([H])c([H])c([N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=C([H])[H])c([H])c2[H])c([H])c1[H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
InChIKeyZAEXMNKDGJNLTA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM (CHEBI:42228) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4,4'-(3-oxopentane-1,5-diyl)bis(N,N-dimethyl-N-prop-2-en-1-ylanilinium)PDBeChem
4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUMPDBeChem
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