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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)
ChEBI ID CHEBI:64138
ChEBI ASCII Name 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H23INO
Net Charge +1
Average Mass 372.26440
Monoisotopic Mass 372.08189
InChI InChI=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+
InChIKey RTMIJLQPWFKAFE-FPYGCLRLSA-O
SMILES CCC[NH+](C\C=C\I)C1CCc2ccc(O)cc2C1
ChEBI Ontology
Outgoing 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 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
Last Modified
09 March 2012