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

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ChEBI Name 1-[3-(2,4,6-Trimethoxybenzoyl)propyl]pyrrolidinium chloride
ChEBI ID CHEBI:182535
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H26NO4.Cl
Net Charge 0
Average Mass 343.850
Monoisotopic Mass 343.15504
InChI InChI=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
InChIKey ZDPACSAHMZADFZ-UHFFFAOYSA-N
SMILES [Cl-].O=C(CCC[NH+]1CCCC1)C2=C(OC)C=C(OC)C=C2OC
ChEBI Ontology
Outgoing 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 Xrefs Databases
34111 ChemSpider
D07548 KEGG DRUG
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Registry Number Type Source
35543-24-9 CAS Registry Number ChemIDplus