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CHEBI:83323 - eprazinone(2+)

ChEBI IDCHEBI:83323
ChEBI Nameeprazinone(2+)
Stars
DefinitionAn organic cation obtained by protonation of the two tertiary amino groups of eprazinone.
Last Modified16 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC24H34N2O2
Net Charge+2
Average Mass382.548
Monoisotopic Mass382.26093
SMILESCCOC(C[NH+]1CC[NH+](CC(C)C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3/p+2
InChIKeyBSHWLCACYCVCJE-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
eprazinone(2+) (CHEBI:83323) is a ammonium ion derivative (CHEBI:35274)
eprazinone(2+) (CHEBI:83323) is a organic cation (CHEBI:25697)
eprazinone(2+) (CHEBI:83323) is conjugate acid of eprazinone (CHEBI:82716)
Incoming Relation(s)
eprazinone hydrochloride (CHEBI:31551) has part eprazinone(2+) (CHEBI:83323)
eprazinone (CHEBI:82716) is conjugate base of eprazinone(2+) (CHEBI:83323)
IUPAC Name 
1-(2-ethoxy-2-phenylethyl)-4-(2-methyl-3-oxo-3-phenylpropyl)piperazinediium
Synonym  Source
eprazinone dicationChEBI