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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > cation > organic cation > imidazolium ion > calmidazolium
... > chemical entity > molecular entity > ion > organic ion > organic cation > imidazolium ion > calmidazolium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > imidazolium ion > calmidazolium

Preferred term

calmidazolium  

Type

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

Broader concept

charge

  • +1

formula

  • C31H23Cl6N2O

has_role

inchi

  • InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1

inchikey

  • CTKNMSVWMRRCPW-UHFFFAOYSA-N

mass

  • 652.24500

monoisotopicmass

  • 648.99361

smiles

  • Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1

subset

  • 3_STAR

synonym EXACT

  • 1-[bis(4-chlorophenyl)methyl]-3-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:75400

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