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CHEBI:64138 - 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)

ChEBI IDCHEBI:64138
ChEBI Name2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)
Stars
ASCII Name2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)
DefinitionAn organic cation that is the conjugate acid of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol, arising from protonation of the tertiary amino function.
Last Modified9 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC16H23INO
Net Charge+1
Average Mass372.270
Monoisotopic Mass372.08189
SMILESCCC[NH+](C/C=C/I)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/p+1/b8-3+
InChIKeyRTMIJLQPWFKAFE-FPYGCLRLSA-O
ChEBI Ontology
Outgoing Relation(s)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138) is a ammonium ion derivative (CHEBI:35274)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138) is a organic cation (CHEBI:25697)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138) is conjugate acid of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137)
Incoming Relation(s)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate (CHEBI:64134) has part 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138)
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) is conjugate base of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138)
IUPAC Name 
7-hydroxy-N-[(2E)-3-iodoprop-2-en-1-yl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium
Synonym  Source
2-{[(2E)-3-iodoallyl](propyl)ammonio}tetralin-7-ol(1+)ChEBI