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CHEBI:76033 - flecainide(1+)

ChEBI IDCHEBI:76033
ChEBI Nameflecainide(1+)
Stars
DefinitionAn organic cation obtained by protonation of the piperidine nitrogen of flecainide.
Last Modified13 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC17H21F6N2O3
Net Charge+1
Average Mass415.354
Monoisotopic Mass415.14509
SMILESO=C(NCC1CCCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/p+1
InChIKeyDJBNUMBKLMJRSA-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
flecainide(1+) (CHEBI:76033) is a ammonium ion derivative (CHEBI:35274)
flecainide(1+) (CHEBI:76033) is a organic cation (CHEBI:25697)
flecainide(1+) (CHEBI:76033) is conjugate acid of flecainide (CHEBI:75984)
Incoming Relation(s)
flecainide acetate (CHEBI:5091) has part flecainide(1+) (CHEBI:76033)
flecainide (CHEBI:75984) is conjugate base of flecainide(1+) (CHEBI:76033)
IUPAC Name 
2-({[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino}methyl)piperidinium
Synonym  Source
flecainide cationChEBI