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CHEBI:180488 - cis-flupenthixol(2+)

Default Structure
ChEBI IDCHEBI:180488
ChEBI Namecis-flupenthixol(2+)
Stars
ASCII Namecis-flupenthixol(2+)
DefinitionA tertiary ammonium ion obtained by protonation of the two tertiary amino groups of cis-flupenthixol.
Last Modified20 September 2021
SubmitterAdnan
DownloadsMolfile
FormulaC23H27F3N2OS
Net Charge+2
Average Mass436.543
Monoisotopic Mass436.17852
SMILESOCC[NH+]1CC[NH+](CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/p+2/b18-5-
InChIKeyNJMYODHXAKYRHW-DVZOWYKESA-P
ChEBI Ontology
Outgoing Relation(s)
cis-flupenthixol(2+) (CHEBI:180488) is a tertiary ammonium ion (CHEBI:137982)
cis-flupenthixol(2+) (CHEBI:180488) is conjugate acid of cis-flupenthixol (CHEBI:10454)
Incoming Relation(s)
cis-flupenthixol dihydrochloride (CHEBI:180489) has part cis-flupenthixol(2+) (CHEBI:180488)
cis-flupenthixol (CHEBI:10454) is conjugate base of cis-flupenthixol(2+) (CHEBI:180488)
IUPAC Name 
1-(2-hydroxyethyl)-4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazinediium
Synonyms  Source
1-(2-hydroxyethyl)-4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazine-1,4-diiumIUPAC
cis-flupenthixol dicationChEBI
cis-(Z)-flupenthixol dicationChEBI
(Z)-flupenthixol dicationChEBI