EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:78392 - (S)-benproperine(1+)

ChEBI IDCHEBI:78392
ChEBI Name(S)-benproperine(1+)
Stars
ASCII Name(S)-benproperine(1+)
DefinitionAn ammonium ion resulting from the protonation of the nitrogen of (S)-benproperine.
Last Modified29 April 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H28NO
Net Charge+1
Average Mass310.461
Monoisotopic Mass310.21654
SMILESC[C@@H](COc1ccccc1Cc1ccccc1)[NH+]1CCCCC1
InChIInChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/p+1/t18-/m0/s1
InChIKeyJTUQXGZRVLWBCR-SFHVURJKSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-benproperine(1+) (CHEBI:78392) is a ammonium ion derivative (CHEBI:35274)
(S)-benproperine(1+) (CHEBI:78392) is conjugate acid of (S)-benproperine (CHEBI:78389)
(S)-benproperine(1+) (CHEBI:78392) is enantiomer of (R)-benproperine(1+) (CHEBI:78391)
Incoming Relation(s)
(S)-benproperine trihydrogen phosphate (CHEBI:78394) has part (S)-benproperine(1+) (CHEBI:78392)
(S)-benproperine (CHEBI:78389) is conjugate base of (S)-benproperine(1+) (CHEBI:78392)
(R)-benproperine(1+) (CHEBI:78391) is enantiomer of (S)-benproperine(1+) (CHEBI:78392)
IUPAC Name 
1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]piperidinium