2-(5-bromanyl-2-methoxy-phenyl)-[1,2]oxazolo[2,3-a]pyridin-8-ium bromide

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-[1,2]oxazolo[2,3-a]pyridin-8-ium bromide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)isoxazolo[2,3-a]pyridin-8-ium bromide CAS Name: 2-(5-bromo-2-methoxyphenyl)isoxazolo[2,3-a]pyridin-8-ium bromide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-[1,2]oxazolo[2,3-a]pyridin-8-ium bromide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)isoxazolo[2,3-a]pyridin-8-ium bromide Formula: C14H11Br2NO2 MolecularWeight: 385.05064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=CC3=CC=CC=[N+]3O2.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=CC3=CC=CC=[N+]3O2.[Br-]

InChI

InChI=1S/C14H11BrNO2.BrH/c1-17-13-6-5-10(15)8-12(13)14-9-11-4-2-3-7-16(11)18-14;/h2-9H,1H3;1H/q+1;/p-1