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Concept information

Preferred term

PoPo 1 (4+)  

Type

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

charge

  • +4

formula

  • C41H54N6O2

inchi

  • InChI=1S/C41H54N6O2/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3/q+4

inchikey

  • BLFSBGOOTKQELE-UHFFFAOYSA-N

mass

  • 662.90650

monoisotopicmass

  • 662.42863

smiles

  • [H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])c2oc3ccccc3[n+]2C)C=C1)c1oc2ccccc2[n+]1C

subset

  • 3_STAR

synonym EXACT

  • 1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]pyridinium}
  • 2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzoxazol-3-ium)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52887

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