4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-2-methoxy-phenol bromide

Systemtic Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-2-methoxy-phenol bromide Openeye Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)vinyl]-2-methoxy-phenol bromide CAS Name: 4-[(E)-2-(1-dodecyl-4-pyridin-1-iumyl)ethenyl]-2-methoxyphenol bromide IUPAC Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-2-methoxyphenol bromide Traditional Name: 4-[(E)-2-(1-laurylpyridin-1-ium-4-yl)vinyl]-2-methoxy-phenol bromide Formula: C26H38BrNO2 MolecularWeight: 476.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO2.BrH/c1-3-4-5-6-7-8-9-10-11-12-19-27-20-17-23(18-21-27)13-14-24-15-16-25(28)26(22-24)29-2;/h13-18,20-22H,3-12,19H2,1-2H3;1H