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Concept information

Preferred term

methylbenzethonium chloride  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44NO2.Cl

inchi

  • InChI=1S/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1

inchikey

  • QWZLBLDNRUUYQI-UHFFFAOYSA-M

mass

  • 462.120

monoisotopicmass

  • 461.30606

smiles

  • [Cl-].O(CC[N+](CC1=CC=CC=C1)(C)C)CCOC2=C(C=C(C(CC(C)(C)C)(C)C)C=C2)C

subset

  • 2_STAR

synonym EXACT

  • benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium.chloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183404

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