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

Systemtic Name: (E)-1-(3-hydroxyphenyl)-3-(1-tetradecylpyridin-1-ium-4-yl)prop-2-en-1-one bromide Openeye Name: (E)-1-(3-hydroxyphenyl)-3-(1-tetradecylpyridin-1-ium-4-yl)prop-2-en-1-one bromide CAS Name: (E)-1-(3-hydroxyphenyl)-3-(1-tetradecyl-4-pyridin-1-iumyl)-2-propen-1-one bromide IUPAC Name: (E)-1-(3-hydroxyphenyl)-3-(1-tetradecylpyridin-1-ium-4-yl)prop-2-en-1-one bromide Traditional Name: (E)-1-(3-hydroxyphenyl)-3-(1-myristylpyridin-1-ium-4-yl)prop-2-en-1-one bromide Formula: C28H40BrNO2 MolecularWeight: 502.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-29-22-19-25(20-23-29)17-18-28(31)26-15-14-16-27(30)24-26;/h14-20,22-24H,2-13,21H2,1H3;1H/b18-17+;