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CHEBI:103857 - 1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Default Structure
ChEBI IDCHEBI:103857
ChEBI Name1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
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DownloadsMolfile
FormulaC21H22ClN2O
Net Charge+1
Average Mass353.873
Monoisotopic Mass353.14152
SMILESCOc1ccc(-c2cn(-c3ccc(Cl)cc3)c3[n+]2CCCCC3)cc1
InChIInChI=1S/C21H22ClN2O/c1-25-19-12-6-16(7-13-19)20-15-24(18-10-8-17(22)9-11-18)21-5-3-2-4-14-23(20)21/h6-13,15H,2-5,14H2,1H3/q+1
InChIKeyVQHSVULGRFPZKL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium (CHEBI:103857) is a imidazoles (CHEBI:24780)
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