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

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ChEBI Name (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+)
ChEBI ID CHEBI:64118
ChEBI ASCII Name (1S,2R)-5-methoxy-1-methyl-2-(propylammonio)tetralin(1+)
Definition An organic cation obtained via protonation of the secondary amino function of (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H24NO
Net Charge +1
Average Mass 234.35720
Monoisotopic Mass 234.18524
InChI InChI=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
InChIKey YGHLYBIUVOLKCV-SMDDNHRTSA-O
SMILES CCC[NH2+][C@@H]1CCc2c(OC)cccc2[C@@H]1C
ChEBI Ontology
Outgoing (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 (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
Last Modified
07 March 2012