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CHEBI:58612 - (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+)

ChEBI IDCHEBI:58612
ChEBI Name(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+)
Stars
ASCII Name(+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+)
DefinitionConjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one.
Last Modified18 February 2015
DownloadsMolfile
FormulaC17H26NO3
Net Charge+1
Average Mass292.399
Monoisotopic Mass292.19072
SMILESCC(C)(C)[NH2+]CC(O)COc1cccc2c1CCCC2=O
InChIInChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/p+1
InChIKeyIXHBTMCLRNMKHZ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612) is a ammonium ion derivative (CHEBI:35274)
(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612) is conjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one (CHEBI:29110)
Incoming Relation(s)
(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one (CHEBI:29110) is conjugate base of (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612)
IUPAC Name 
N-tert-butyl-2-hydroxy-3-[(5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-aminium
UniProt Name  Source
bunololUniProt