4-[(E)-2-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide

Systemtic Name: 4-[(E)-2-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Openeye Name: 4-[(E)-2-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]vinyl]phenol bromide CAS Name: 4-[(E)-2-[1-[(3-bromophenyl)methyl]-4-pyridin-1-iumyl]ethenyl]phenol bromide IUPAC Name: 4-[(E)-2-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Traditional Name: 4-[(E)-2-[1-(3-bromobenzyl)pyridin-1-ium-4-yl]vinyl]phenol bromide Formula: C20H17Br2NO MolecularWeight: 447.16308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO.BrH/c21-19-3-1-2-18(14-19)15-22-12-10-17(11-13-22)5-4-16-6-8-20(23)9-7-16;/h1-14H,15H2;1H