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CHEBI:182535 - 1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride

ChEBI IDCHEBI:182535
ChEBI Name1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26NO4.Cl
Net Charge0
Average Mass343.851
Monoisotopic Mass343.15504
SMILESCOc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1.[Cl-]
InChIInChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H
InChIKeyZDPACSAHMZADFZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride (CHEBI:182535) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;chloride
Manual XrefsDatabases
D07548KEGG DRUG
34111ChemSpider
Registry NumbersSources
CAS:35543-24-9ChemIDplus