1-(4-hydroxyphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]propan-1-one bromide

Systemtic Name: 1-(4-hydroxyphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]propan-1-one bromide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(4-hydroxyphenyl)propan-1-one bromide CAS Name: 1-(4-hydroxyphenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]-1-propanone bromide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(4-hydroxyphenyl)propan-1-one bromide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(4-hydroxyphenyl)propan-1-one bromide Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)O)[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)O)[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Br-]

InChI

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