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CHEBI:147372 - (S)-imazaquin-ammonium

ChEBI IDCHEBI:147372
ChEBI Name(S)-imazaquin-ammonium
Stars
ASCII Name(S)-imazaquin-ammonium
DefinitionAn ammonium salt resulting from the formal reaction of the carboxy group of (S)-imazaquin with 1 mol eq. of ammonia.
Last Modified2 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC17H16N3O3.H4N
Net Charge0
Average Mass328.372
Monoisotopic Mass328.15354
SMILESCC(C)[C@]1(C)N=C(c2nc3ccccc3cc2C(=O)[O-])NC1=O.[NH4+]
InChIInChI=1S/C17H17N3O3.H3N/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13;/h4-9H,1-3H3,(H,21,22)(H,19,20,23);1H3/t17-;/m0./s1
InChIKeyVJBCNMFKFZIXHC-LMOVPXPDSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-imazaquin-ammonium (CHEBI:147372) has part (S)-imazaquin(1−) (CHEBI:147374)
(S)-imazaquin-ammonium (CHEBI:147372) is a ammonium salt (CHEBI:47704)
(S)-imazaquin-ammonium (CHEBI:147372) is enantiomer of (R)-imazaquin-ammonium (CHEBI:147371)
Incoming Relation(s)
imazaquin-ammonium (CHEBI:147370) has part (S)-imazaquin-ammonium (CHEBI:147372)
(R)-imazaquin-ammonium (CHEBI:147371) is enantiomer of (S)-imazaquin-ammonium (CHEBI:147372)
IUPAC Name 
ammonium 2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylate