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CHEBI:71251 - (R,R)-asenapine(1+)

Default Structure
ChEBI IDCHEBI:71251
ChEBI Name(R,R)-asenapine(1+)
Stars
ASCII Name(R,R)-asenapine(1+)
DefinitionAn organic cation that is the conjugate acid of (R,R)-asenapine, obtained by protonation of the tertiary amino group.
Last Modified27 November 2012
SubmitterSteve
DownloadsMolfile
FormulaC17H17ClNO
Net Charge+1
Average Mass286.782
Monoisotopic Mass286.09932
SMILES[H][C@@]12C[NH+](C)C[C@@]1([H])c1cc(Cl)ccc1Oc1ccccc12
InChIInChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/p+1/t14-,15-/m0/s1
InChIKeyVSWBSWWIRNCQIJ-GJZGRUSLSA-O
ChEBI Ontology
Outgoing Relation(s)
(R,R)-asenapine(1+) (CHEBI:71251) is a ammonium ion derivative (CHEBI:35274)
(R,R)-asenapine(1+) (CHEBI:71251) is a organic cation (CHEBI:25697)
(R,R)-asenapine(1+) (CHEBI:71251) is conjugate acid of (R,R)-asenapine (CHEBI:71256)
(R,R)-asenapine(1+) (CHEBI:71251) is enantiomer of (S,S)-asenapine(1+) (CHEBI:71252)
Incoming Relation(s)
(R,R)-asenapine maleate (CHEBI:71246) has part (R,R)-asenapine(1+) (CHEBI:71251)
asenapine(1+) (CHEBI:71249) has part (R,R)-asenapine(1+) (CHEBI:71251)
(R,R)-asenapine (CHEBI:71256) is conjugate base of (R,R)-asenapine(1+) (CHEBI:71251)
(S,S)-asenapine(1+) (CHEBI:71252) is enantiomer of (R,R)-asenapine(1+) (CHEBI:71251)
IUPAC Name 
(3aR,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-2-ium
Synonym  Source
(R,R)-asenapine cationChEBI