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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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