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

Systemtic Name: 3-[(E)-2-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Openeye Name: 3-[(E)-2-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]vinyl]phenol bromide CAS Name: 3-[(E)-2-[1-[(3-bromophenyl)methyl]-4-pyridin-1-iumyl]ethenyl]phenol bromide IUPAC Name: 3-[(E)-2-[1-[(3-bromophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Traditional Name: 3-[(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(=CC=C3)O.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO.BrH/c21-19-5-1-4-18(13-19)15-22-11-9-16(10-12-22)7-8-17-3-2-6-20(23)14-17;/h1-14H,15H2;1H/b8-7+;