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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 > tandospirone(1+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > tandospirone(1+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > tandospirone(1+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > tandospirone(1+)

Preferred term

tandospirone(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C21H30N5O2

inchi

  • InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/p+1/t15-,16+,17+,18-

inchikey

  • CEIJFEGBUDEYSX-FZDBZEDMSA-O

is_conjugate_acid_of

mass

  • 384.503

monoisotopicmass

  • 384.23940

smiles

  • [C@]12([C@@]([C@@]3(C[C@]1(CC3)[H])[H])(C(N(C2=O)CCCC[NH+]4CCN(CC4)C5=NC=CC=N5)=O)[H])[H]

subset

  • 3_STAR

synonym EXACT

  • 1-{4-[(3aR,4S,7R,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]butyl}-4-(pyrimidin-2-yl)piperazin-1-ium

synonym RELATED

  • tandospirone cation

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145674

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