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

Systemtic Name: 3-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]phenol bromide Openeye Name: 3-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)vinyl]phenol bromide CAS Name: 3-[(E)-2-(1-dodecyl-2-pyridin-1-iumyl)ethenyl]phenol bromide IUPAC Name: 3-[(E)-2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]phenol bromide Traditional Name: 3-[(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=C2)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1/C=C/C2=CC(=CC=C2)O.[Br-]

InChI

InChI=1S/C25H35NO.BrH/c1-2-3-4-5-6-7-8-9-10-12-20-26-21-13-11-16-24(26)19-18-23-15-14-17-25(27)22-23;/h11,13-19,21-22H,2-10,12,20H2,1H3;1H/b19-18+;