EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:145128 - SKF-96365 free base(1+)

ChEBI IDCHEBI:145128
ChEBI NameSKF-96365 free base(1+)
Stars
DefinitionAn organic cation obtained by protonation of the imidazole group of SKF-96365 free base.
Last Modified21 October 2019
SubmitterAdnan
DownloadsMolfile
FormulaC22H27N2O3
Net Charge+1
Average Mass367.469
Monoisotopic Mass367.20162
SMILESCOc1ccc(CCCOC(Cn2cc[nH+]c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3/p+1
InChIKeyHLMBXBGDBBCYII-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
SKF-96365 free base(1+) (CHEBI:145128) is a organic cation (CHEBI:25697)
SKF-96365 free base(1+) (CHEBI:145128) is conjugate acid of SKF-96365 free base (CHEBI:145122)
Incoming Relation(s)
SKF-96365 hydrochloride (CHEBI:145121) has part SKF-96365 free base(1+) (CHEBI:145128)
SKF-96365 free base (CHEBI:145122) is conjugate base of SKF-96365 free base(1+) (CHEBI:145128)
IUPAC Name 
1-{2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl}-1H-imidazol-3-ium
Synonym  Source
SKF-96365 cationChEBI