2-methoxy-4-[(E)-2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethenyl]phenol bromide

Systemtic Name: 2-methoxy-4-[(E)-2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethenyl]phenol bromide Openeye Name: 4-[(E)-2-(1-benzylpyridin-1-ium-4-yl)vinyl]-2-methoxy-phenol bromide CAS Name: 2-methoxy-4-[(E)-2-[1-(phenylmethyl)-4-pyridin-1-iumyl]ethenyl]phenol bromide IUPAC Name: 4-[(E)-2-(1-benzylpyridin-1-ium-4-yl)ethenyl]-2-methoxyphenol bromide Traditional Name: 4-[(E)-2-(1-benzylpyridin-1-ium-4-yl)vinyl]-2-methoxy-phenol bromide Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=[N+](C=C2)CC3=CC=CC=C3)O.[Br-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC=[N+](C=C2)CC3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C21H19NO2.BrH/c1-24-21-15-18(9-10-20(21)23)8-7-17-11-13-22(14-12-17)16-19-5-3-2-4-6-19;/h2-15H,16H2,1H3;1H