2-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]phenol bromide

Systemtic Name: 2-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]phenol bromide Openeye Name: 2-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)vinyl]phenol bromide CAS Name: 2-[(E)-2-(1-dodecyl-2-pyridin-1-iumyl)ethenyl]phenol bromide IUPAC Name: 2-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]phenol bromide Traditional Name: 2-[(E)-2-(1-laurylpyridin-1-ium-2-yl)vinyl]phenol bromide Formula: C25H36BrNO MolecularWeight: 446.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1C=CC2=CC=CC=C2O.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1/C=C/C2=CC=CC=C2O.[Br-]

InChI

InChI=1S/C25H35NO.BrH/c1-2-3-4-5-6-7-8-9-10-14-21-26-22-15-13-17-24(26)20-19-23-16-11-12-18-25(23)27;/h11-13,15-20,22H,2-10,14,21H2,1H3;1H