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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > arene > monocyclic arene > alkylbenzene > 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > arene > monocyclic arene > alkylbenzene > 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium

Preferred term

1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C26H40NO

inchi

  • InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1

inchikey

  • PDJZSOPTHHVYSX-UHFFFAOYSA-N

mass

  • 382.603

monoisotopicmass

  • 382.31044

smiles

  • CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)C(C)(C)CC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103859

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