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CHEBI:231725 - N-methyl-quinidine

Default Structure
ChEBI IDCHEBI:231725
ChEBI NameN-methyl-quinidine
Stars
DefinitionN-methyl-quinidine (NMQ)is a low permeability amphipathic monoquaternary molecule
SubmitterJoan Glenny Pescov
DownloadsMolfile
FormulaC21H27N2O2
Net Charge+1
Average Mass339.459
Monoisotopic Mass339.20670
SMILES[H]O[C@@]([H])(c1c([H])c([H])nc2c([H])c([H])c(OC([H])([H])[H])c([H])c12)[C@@]1([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[N+]1(C([H])([H])[H])C([H])([H])[C@]2([H])C([H])=C([H])[H]
InChIInChI=1S/C21H27N2O2/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3/q+1/t14-,15-,20+,21-,23?/m0/s1
InChIKeySJTSZVLGFLZBFK-HQBGAPFHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-methyl-quinidine (CHEBI:231725) is a organic molecular entity (CHEBI:50860)