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CHEBI:195563 - huprine 19(2+)

ChEBI IDCHEBI:195563
ChEBI Namehuprine 19(2+)
Stars
DefinitionA primary ammonium ion resulting from the protonation of the imine nitrogen and primary amine; Major species at pH 7.3.
Last Modified21 August 2023
SubmitterAdnan
DownloadsMolfile
FormulaC18H22ClN3
Net Charge+2
Average Mass315.848
Monoisotopic Mass315.14913
SMILES[H][C@@]12C=C(CC[NH3+])C[C@@]([H])(C1)c1c([nH+]c3cc(Cl)ccc3c1N)C2
InChIInChI=1S/C18H20ClN3/c19-13-1-2-14-15(9-13)22-16-8-11-5-10(3-4-20)6-12(7-11)17(16)18(14)21/h1-2,5,9,11-12H,3-4,6-8,20H2,(H2,21,22)/p+2/t11-,12+/m1/s1
InChIKeyNHYOUQQOKSFBKN-NEPJUHHUSA-P
ChEBI Ontology
Outgoing Relation(s)
huprine 19(2+) (CHEBI:195563) is a primary ammonium ion (CHEBI:65296)
huprine 19(2+) (CHEBI:195563) is conjugate acid of huprine 19 (CHEBI:195549)
Incoming Relation(s)
huprine 19 (CHEBI:195549) is conjugate base of huprine 19(2+) (CHEBI:195563)
IUPAC Name 
(7R,11R)-12-amino-9-(2-azaniumylethyl)-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolinium
Synonyms  Source
huprine 19 dicationChEBI
(7R,11R)-huprine 19(2+)ChEBI
(7R,11R)-huprine 19 dicationChEBI
Citations