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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > tiagabine(1+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > tiagabine(1+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > tiagabine(1+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > tiagabine(1+)

Preferred term

tiagabine(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C20H26NO2S2

inchi

  • InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/p+1/t16-/m1/s1

inchikey

  • PBJUNZJWGZTSKL-MRXNPFEDSA-O

is_conjugate_acid_of

mass

  • 376.55500

monoisotopicmass

  • 376.13995

smiles

  • Cc1ccsc1C(=CCC[NH+]1CCC[C@H](C1)C(O)=O)c1sccc1C

subset

  • 3_STAR

synonym RELATED

  • (3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]-3-carboxypiperidinium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85387

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