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CHEBI:233177 - (1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)

ChEBI IDCHEBI:233177
ChEBI Name(1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)
Stars
ASCII Name(1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H27N2O2
Net Charge+1
Average Mass315.437
Monoisotopic Mass315.20670
SMILESCOc1ccc(C[C@H]2CN[C@@H]3C[NH+]2C2(CCC(=O)CC2)C3)cc1
InChIInChI=1S/C19H26N2O2/c1-23-18-4-2-14(3-5-18)10-16-12-20-15-11-19(21(16)13-15)8-6-17(22)7-9-19/h2-5,15-16,20H,6-13H2,1H3/p+1/t15-,16-/m0/s1
InChIKeyCLJPQCXDNQXJBW-HOTGVXAUSA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+) (CHEBI:233177) is a tertiary ammonium ion (CHEBI:137982)
UniProt Name  Source
(1S,4S)-4-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-oneUniProt
Citations