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CHEBI:64118 - (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+)

ChEBI IDCHEBI:64118
ChEBI Name(1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+)
Stars
ASCII Name(1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+)
DefinitionAn organic cation obtained via protonation of the secondary amino function of (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin.
Last Modified7 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC15H24NO
Net Charge+1
Average Mass234.363
Monoisotopic Mass234.18524
SMILESCCC[NH2+][C@@H]1CCc2c(OC)cccc2[C@@H]1C
InChIInChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/p+1/t11-,14+/m0/s1
InChIKeyYGHLYBIUVOLKCV-SMDDNHRTSA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118) is a ammonium ion derivative (CHEBI:35274)
(1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118) is a organic cation (CHEBI:25697)
(1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118) is conjugate acid of (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117)
Incoming Relation(s)
(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin hydrochloride (CHEBI:64115) has part (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118)
(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin (CHEBI:64117) is conjugate base of (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+) (CHEBI:64118)
IUPAC Name 
(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium
Synonym  Source
(+)-AJ 76(1+)ChEBI