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

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ChEBI Name (S)-benproperine(1+)
ChEBI ID CHEBI:78392
ChEBI ASCII Name (S)-benproperine(1+)
Definition An ammonium ion resulting from the protonation of the nitrogen of (S)-benproperine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H28NO
Net Charge +1
Average Mass 310.45260
Monoisotopic Mass 310.21654
InChI InChI=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
InChIKey JTUQXGZRVLWBCR-SFHVURJKSA-O
SMILES C[C@@H](COc1ccccc1Cc1ccccc1)[NH+]1CCCCC1
ChEBI Ontology
Outgoing (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 (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
Last Modified
29 April 2014