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

Systemtic Name: 2-[(E)-2-[1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Openeye Name: 2-[(E)-2-[1-[(E)-cinnamyl]pyridin-1-ium-4-yl]vinyl]phenol bromide CAS Name: 2-[(E)-2-[1-[(E)-3-phenylprop-2-enyl]-4-pyridin-1-iumyl]ethenyl]phenol bromide IUPAC Name: 2-[(E)-2-[1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide Traditional Name: 2-[(E)-2-[1-[(E)-cinnamyl]pyridin-1-ium-4-yl]vinyl]phenol bromide Formula: C22H20BrNO MolecularWeight: 394.3043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC[N+]2=CC=C(C=C2)C=CC3=CC=CC=C3O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C[N+]2=CC=C(C=C2)/C=C/C3=CC=CC=C3O.[Br-]

InChI

InChI=1S/C22H19NO.BrH/c24-22-11-5-4-10-21(22)13-12-20-14-17-23(18-15-20)16-6-9-19-7-2-1-3-8-19;/h1-15,17-18H,16H2;1H/b9-6+;