3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide

Systemtic Name: 3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide CAS Name: 3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide IUPAC Name: 3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Traditional Name: 3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Formula: C15H14BrN3O MolecularWeight: 332.19516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC(=NN2)C3=C[NH+]=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC(=NN2)C3=C[NH+]=CC=C3.[Br-]

InChI

InChI=1S/C15H13N3O.BrH/c1-2-6-14(7-3-1)19-11-13-9-15(18-17-13)12-5-4-8-16-10-12;/h1-10H,11H2,(H,17,18);1H