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CHEBI:233179 - (2S)-3-(4-methoxyphenyl)-2-[(3S)-3-(methylamino)-8-oxo-1-azaspiro[4.5]decan-1-yl]propanal(1+)

ChEBI IDCHEBI:233179
ChEBI Name(2S)-3-(4-methoxyphenyl)-2-[(3S)-3-(methylamino)-8-oxo-1-azaspiro[4.5]decan-1-yl]propanal(1+)
Stars
ASCII Name(2S)-3-(4-methoxyphenyl)-2-[(3S)-3-(methylamino)-8-oxo-1-azaspiro[4.5]decan-1-yl]propanal(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H29N2O3
Net Charge+1
Average Mass345.463
Monoisotopic Mass345.21727
SMILESC[NH2+][C@@H]1CN([C@H](C=O)Cc2ccc(OC)cc2)C2(CCC(=O)CC2)C1
InChIInChI=1S/C20H28N2O3/c1-21-16-12-20(9-7-18(24)8-10-20)22(13-16)17(14-23)11-15-3-5-19(25-2)6-4-15/h3-6,14,16-17,21H,7-13H2,1-2H3/p+1/t16-,17-/m0/s1
InChIKeyQHROAFYTLYNBEG-IRXDYDNUSA-O
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(4-methoxyphenyl)-2-[(3S)-3-(methylamino)-8-oxo-1-azaspiro[4.5]decan-1-yl]propanal(1+) (CHEBI:233179) is a methylated secondary ammonium ion (CHEBI:137984)
UniProt Name  Source
(2S)-3-(4-methoxyphenyl)-2-[(3S)-3-(methylamino)-8-oxo-1-azaspiro[4.5]decan-1-yl]propanalUniProt
Citations