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CHEBI:104047 - 2-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]acetic acid ethyl ester

ChEBI IDCHEBI:104047
ChEBI Name2-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]acetic acid ethyl ester
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FormulaC20H20NO2
Net Charge+1
Average Mass306.385
Monoisotopic Mass306.14886
SMILESCCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccccc1
InChIInChI=1S/C20H20NO2/c1-2-23-20(22)15-21-13-12-17-10-6-7-11-18(17)19(21)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3/q+1
InChIKeyHYGFHCMHDKEVAK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]acetic acid ethyl ester (CHEBI:104047) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-15405LINCS