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CHEBI:77569 - trovafloxacin(1+)

ChEBI IDCHEBI:77569
ChEBI Nametrovafloxacin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of trovafloxacin, obtained by protonation of the primary amino group.
Last Modified4 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H16F3N4O3
Net Charge+1
Average Mass417.367
Monoisotopic Mass417.11690
SMILES[H][C@@]12CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@]1([H])[C@H]2[NH3+]
InChIInChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/p+1/t10-,11+,16+
InChIKeyWVPSKSLAZQPAKQ-CDMJZVDBSA-O
ChEBI Ontology
Outgoing Relation(s)
trovafloxacin(1+) (CHEBI:77569) is a ammonium ion derivative (CHEBI:35274)
trovafloxacin(1+) (CHEBI:77569) is a organic cation (CHEBI:25697)
trovafloxacin(1+) (CHEBI:77569) is conjugate acid of trovafloxacin (CHEBI:9763)
Incoming Relation(s)
trovafloxacin mesylate (CHEBI:77568) has part trovafloxacin(1+) (CHEBI:77569)
trovafloxacin (CHEBI:9763) is conjugate base of trovafloxacin(1+) (CHEBI:77569)
IUPAC Name 
(1R,5S,6s)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-aminium
Synonym  Source
trovafloxacin cationChEBI