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CHEBI:128537 - 1-[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone

ChEBI IDCHEBI:128537
ChEBI Name1-[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone
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FormulaC19H20BrN3O2
Net Charge0
Average Mass402.292
Monoisotopic Mass401.07389
SMILESO=C(Cc1ccncc1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@@H]2CO
InChIInChI=1S/C19H20BrN3O2/c20-13-1-2-16-15(10-13)19-14(17(11-24)22-16)5-8-23(19)18(25)9-12-3-6-21-7-4-12/h1-4,6-7,10,14,17,19,22,24H,5,8-9,11H2/t14-,17+,19-/m0/s1
InChIKeySMISTCVGXCUIKS-YJLNNSPDSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone (CHEBI:128537) is a pyrroloquinoline (CHEBI:50918)
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