(E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide

Systemtic Name: (E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide Openeye Name: (E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide CAS Name: (E)-3-(1-dodecyl-4-pyridin-1-iumyl)-1-(3-hydroxyphenyl)-2-propen-1-one bromide IUPAC Name: (E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide Traditional Name: (E)-1-(3-hydroxyphenyl)-3-(1-laurylpyridin-1-ium-4-yl)prop-2-en-1-one bromide Formula: C26H36BrNO2 MolecularWeight: 474.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-19-27-20-17-23(18-21-27)15-16-26(29)24-13-12-14-25(28)22-24;/h12-18,20-22H,2-11,19H2,1H3;1H/b16-15+;