EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61207 - anileridine(2+)

ChEBI IDCHEBI:61207
ChEBI Nameanileridine(2+)
Stars
DefinitionA piperidinium ion that results from the protonation of both of the nitrogen atoms of anileridine.
Last Modified4 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H30N2O2
Net Charge+2
Average Mass354.494
Monoisotopic Mass354.22963
SMILESCCOC(=O)C1(c2ccccc2)CC[NH+](CCc2ccc([NH3+])cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3/p+2
InChIKeyLKYQLAWMNBFNJT-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
anileridine(2+) (CHEBI:61207) is a piperidinium ion (CHEBI:48633)
anileridine(2+) (CHEBI:61207) is conjugate acid of anileridine (CHEBI:61203)
Incoming Relation(s)
anileridine dihydrochloride (CHEBI:61208) has part anileridine(2+) (CHEBI:61207)
anileridine (CHEBI:61203) is conjugate base of anileridine(2+) (CHEBI:61207)
IUPAC Name 
1-[2-(4-ammoniophenyl)ethyl]-4-(ethoxycarbonyl)-4-phenylpiperidinium
Synonyms  Source
ethyl 1-[2-(4-ammoniophenyl)ethyl]-4-phenylpiperidinium-4-carboxylateChEBI
ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate(2+)ChEBI
N-β-(p-aminophenyl)ethylnormeperidine(2+)ChEBI
N-(β-(p-aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidine(2+)ChEBI