CHEBI:166551 - Oblongine chloride

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Oblongine chloride
ChEBI ID CHEBI:166551
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24NO3.Cl
Net Charge 0
Average Mass 349.860
Monoisotopic Mass 349.14447
InChI InChI=1S/C19H23NO3.ClH/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13;/h4-9,16H,10-12H2,1-3H3,(H-,21,22);1H/t16-;/m0./s1
InChIKey UWPGKSRZKKLEFW-NTISSMGPSA-N
SMILES [Cl-].OC=1C=2[C@@H]([N+](CCC2C=CC1OC)(C)C)CC3=CC=C(O)C=C3
ChEBI Ontology
Outgoing Oblongine chloride (CHEBI:166551) is a isoquinolines (CHEBI:24922)
IUPAC Name
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol;chloride
Manual Xref Database
151607 ChemSpider
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