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CHEBI:133215 - (S)-imazapyr-isopropylammonium

ChEBI IDCHEBI:133215
ChEBI Name(S)-imazapyr-isopropylammonium
Stars
ASCII Name(S)-imazapyr-isopropylammonium
DefinitionAn organoammonium salt resulting from the formal reaction of the carboxy group of (S)-imazapyr with isopropylamine.
Last Modified9 September 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H14N3O3.C3H10N
Net Charge0
Average Mass320.393
Monoisotopic Mass320.18484
SMILESCC(C)[C@]1(C)NC(c2ncccc2C(=O)[O-])=NC1=O.CC(C)[NH3+]
InChIInChI=1S/C13H15N3O3.C3H9N/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;1-3(2)4/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,4H2,1-2H3/t13-;/m0./s1
InChIKeyKCTKQZUYHSKJLP-ZOWNYOTGSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-imazapyr-isopropylammonium (CHEBI:133215) has part (S)-imazapyr(1−) (CHEBI:133192)
(S)-imazapyr-isopropylammonium (CHEBI:133215) has part isopropylaminium (CHEBI:57492)
(S)-imazapyr-isopropylammonium (CHEBI:133215) is a organoammonium salt (CHEBI:46850)
(S)-imazapyr-isopropylammonium (CHEBI:133215) is enantiomer of (R)-imazapyr-isopropylammonium (CHEBI:133214)
Incoming Relation(s)
imazapyr-isopropylammonium (CHEBI:133212) has part (S)-imazapyr-isopropylammonium (CHEBI:133215)
(R)-imazapyr-isopropylammonium (CHEBI:133214) is enantiomer of (S)-imazapyr-isopropylammonium (CHEBI:133215)
IUPAC Name 
propan-2-aminium 2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]nicotinate
Synonyms  Source
isopropylammonium 2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]nicotinateChEBI
isopropylammonium 2-[(S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinateChEBI
propan-2-aminium 2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylateChEBI
isopropylammonium 2-[(4S)-4-methyl-5-oxo-4-isopropyl-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylateChEBI