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Examples:
iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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CHEBI:76033 - flecainide(1+)
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ChEBI Ontology
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ChEBI Name
flecainide(1+)
ChEBI ID
CHEBI:76033
Definition
An organic cation obtained by protonation of the piperidine nitrogen of flecainide.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H21F6N2O3
Net Charge
+1
Average Mass
415.35070
Monoisotopic Mass
415.14509
InChI
InChI=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
InChIKey
DJBNUMBKLMJRSA-UHFFFAOYSA-O
SMILES
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCC[NH2+]1
ChEBI Ontology
Outgoing
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
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 cation
ChEBI
Last Modified
13 October 2014