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Chemistry, part 1

Content language

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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 > (s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > (s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > (s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > (s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+)

Preferred term

(s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+)  

Type

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

Broader concept

charge

  • +2

formula

  • C16H23N3O2S

inchi

  • InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/p+2/t13-/m0/s1

inchikey

  • AWDORCFLUJZUQS-ZDUSSCGKSA-P

is_conjugate_acid_of

mass

  • 321.439

monoisotopicmass

  • 321.15000

smiles

  • [NH+]1=CC2=C(C(=C1)C)C(=CC=C2)S(N3[C@H](C[NH2+]CCC3)C)(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 4-methyl-5-[(2S)-2-methyl-1,4-diazepan-4-ium-1-sulfonyl]isoquinolin-2-ium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138382

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