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Concept information

Preferred term

Ro 25 6981 (1+)  

Type

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

charge

  • +1

formula

  • C22H30NO2

inchi

  • InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/p+1/t17-,22+/m0/s1

inchikey

  • WVZSEUPGUDIELE-HTAPYJJXSA-O

is_conjugate_acid_of

mass

  • 340.486

monoisotopicmass

  • 340.22711

smiles

  • C[C@@H](C[NH+]1CCC(CC2=CC=CC=C2)CC1)[C@@H](O)C1=CC=C(O)C=C1

subset

  • 3_STAR

synonym EXACT

  • 4-benzyl-1-[(2S,3R)-3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl]piperidinium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183314

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