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CHEBI:233178 - (1S,4S)-4-[(4-methoxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)

ChEBI IDCHEBI:233178
ChEBI Name(1S,4S)-4-[(4-methoxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)
Stars
ASCII Name(1S,4S)-4-[(4-methoxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H29N2O2
Net Charge+1
Average Mass329.464
Monoisotopic Mass329.22235
SMILESCOc1ccc(C[C@H]2CN(C)[C@@H]3C[NH+]2C2(CCC(=O)CC2)C3)cc1
InChIInChI=1S/C20H28N2O2/c1-21-13-16(11-15-3-5-19(24-2)6-4-15)22-14-17(21)12-20(22)9-7-18(23)8-10-20/h3-6,16-17H,7-14H2,1-2H3/p+1/t16-,17-/m0/s1
InChIKeyCTSQVUFKMCUAOZ-IRXDYDNUSA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,4S)-4-[(4-methoxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+) (CHEBI:233178) is a tertiary ammonium ion (CHEBI:137982)
UniProt Name  Source
(1S,4S)-4-[(4-methoxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-oneUniProt
Citations