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CHEBI:103869 - 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Default Structure
ChEBI IDCHEBI:103869
ChEBI Name2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
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FormulaC22H24BrN2O
Net Charge+1
Average Mass412.351
Monoisotopic Mass411.10665
SMILESCCOc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2CCCCC3)cc1
InChIInChI=1S/C22H24BrN2O/c1-2-26-20-13-11-19(12-14-20)25-21(17-7-9-18(23)10-8-17)16-24-15-5-3-4-6-22(24)25/h7-14,16H,2-6,15H2,1H3/q+1
InChIKeyYFYTWDJVYRDONY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium (CHEBI:103869) is a imidazoles (CHEBI:24780)
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