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CHEBI:233176 - (1S,4S)-4-[(4-hydroxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)

ChEBI IDCHEBI:233176
ChEBI Name(1S,4S)-4-[(4-hydroxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+)
Stars
ASCII Name(1S,4S)-4-[(4-hydroxyphenyl)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
FormulaC19H27N2O2
Net Charge+1
Average Mass315.437
Monoisotopic Mass315.20670
SMILESCN1C[C@H](Cc2ccc(O)cc2)[NH+]2C[C@@H]1CC21CCC(=O)CC1
InChIInChI=1S/C19H26N2O2/c1-20-12-15(10-14-2-4-17(22)5-3-14)21-13-16(20)11-19(21)8-6-18(23)7-9-19/h2-5,15-16,22H,6-13H2,1H3/p+1/t15-,16-/m0/s1
InChIKeyUOLVYJLXRCPWLB-HOTGVXAUSA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,4S)-4-[(4-hydroxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-one(1+) (CHEBI:233176) is a tertiary ammonium ion (CHEBI:137982)
UniProt Name  Source
(1S,4S)-4-[(4-hydroxyphenyl)methyl]-2-methyl-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexan]-4'-oneUniProt
Citations