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CHEBI:233182 - (1S,3S,6S,7S,8S,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecane-7,9-diol(1+)

ChEBI IDCHEBI:233182
ChEBI Name(1S,3S,6S,7S,8S,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecane-7,9-diol(1+)
Stars
ASCII Name(1S,3S,6S,7S,8S,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.0(1,5)]dodecane-7,9-diol(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H31N2O3
Net Charge+1
Average Mass347.479
Monoisotopic Mass347.23292
SMILES[H][C@]12C[C@@]3(CC[C@@H]1O)C[C@H]([NH2+]C)CN3[C@@H](Cc1ccc(OC)cc1)[C@H]2O
InChIInChI=1S/C20H30N2O3/c1-21-14-10-20-8-7-18(23)16(11-20)19(24)17(22(20)12-14)9-13-3-5-15(25-2)6-4-13/h3-6,14,16-19,21,23-24H,7-12H2,1-2H3/p+1/t14-,16-,17-,18-,19-,20+/m0/s1
InChIKeyHVRDDVYGBZQREE-KKMIJOEASA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,3S,6S,7S,8S,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecane-7,9-diol(1+) (CHEBI:233182) is a methylated secondary ammonium ion (CHEBI:137984)
UniProt Name  Source
(1S,3S,6S,7S,8S,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecane-7,9-diolUniProt
Citations