4-[(3-bromanyl-3aH-pyrrolo[2,3-b]pyridin-2-yl)methyl]-4-methyl-morpholin-4-ium

Systemtic Name: 4-[(3-bromanyl-3aH-pyrrolo[2,3-b]pyridin-2-yl)methyl]-4-methyl-morpholin-4-ium Openeye Name: 4-[(3-bromo-3aH-pyrrolo[2,3-b]pyridin-2-yl)methyl]-4-methyl-morpholin-4-ium CAS Name: 4-[(3-bromo-3aH-pyrrolo[2,3-b]pyridin-2-yl)methyl]-4-methylmorpholin-4-ium IUPAC Name: 4-[(3-bromo-3aH-pyrrolo[2,3-b]pyridin-2-yl)methyl]-4-methylmorpholin-4-ium Traditional Name: 4-[(3-bromo-3aH-pyrrolo[2,3-b]pyridin-2-yl)methyl]-4-methyl-morpholin-4-ium Formula: C13H17BrN3O+ MolecularWeight: 311.19758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC2=C(C3C=CC=NC3=N2)Br

Isomeric SMILES

C[N+]1(CCOCC1)CC2=C(C3C=CC=NC3=N2)Br

InChI

InChI=1S/C13H17BrN3O/c1-17(5-7-18-8-6-17)9-11-12(14)10-3-2-4-15-13(10)16-11/h2-4,10H,5-9H2,1H3/q+1