1-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[4-[(E)-styryl]pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[4-[(E)-styryl]pyridin-1-ium-1-yl]ethanone bromide Formula: C22H20BrNO2 MolecularWeight: 410.3037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C=CC3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)/C=C/C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H20NO2.BrH/c1-25-21-11-9-20(10-12-21)22(24)17-23-15-13-19(14-16-23)8-7-18-5-3-2-4-6-18;/h2-16H,17H2,1H3;1H/q+1;/p-1/b8-7+;