EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131806 - (R)-SKF 38393(1+)

ChEBI IDCHEBI:131806
ChEBI Name(R)-SKF 38393(1+)
Stars
ASCII Name(R)-SKF 38393(1+)
DefinitionAn organic cation obtained by protonation of the secondary amino function of (R)-SKF 38393.
Last Modified21 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H18NO2
Net Charge+1
Average Mass256.325
Monoisotopic Mass256.13321
SMILESOc1cc2c(cc1O)[C@@H](c1ccccc1)C[NH2+]CC2
InChIInChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/p+1/t14-/m1/s1
InChIKeyJUDKOGFHZYMDMF-CQSZACIVSA-O
ChEBI Ontology
Outgoing Relation(s)
(R)-SKF 38393(1+) (CHEBI:131806) is a ammonium ion derivative (CHEBI:35274)
(R)-SKF 38393(1+) (CHEBI:131806) is a organic cation (CHEBI:25697)
(R)-SKF 38393(1+) (CHEBI:131806) is conjugate acid of (R)-SKF 38393 (CHEBI:131800)
(R)-SKF 38393(1+) (CHEBI:131806) is enantiomer of (S)-SKF 38393(1+) (CHEBI:131807)
Incoming Relation(s)
(R)-SKF 38393 hydrobromide (CHEBI:131805) has part (R)-SKF 38393(1+) (CHEBI:131806)
(R)-SKF 38393 (CHEBI:131800) is conjugate base of (R)-SKF 38393(1+) (CHEBI:131806)
(S)-SKF 38393(1+) (CHEBI:131807) is enantiomer of (R)-SKF 38393(1+) (CHEBI:131806)
IUPAC Name 
(1R)-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium