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

Systemtic Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide Openeye Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide CAS Name: (E)-3-(1-hexyl-4-pyridin-1-iumyl)-1-(3-hydroxyphenyl)-2-propen-1-one bromide IUPAC Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide Traditional Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one bromide Formula: C20H24BrNO2 MolecularWeight: 390.31406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2.BrH/c1-2-3-4-5-13-21-14-11-17(12-15-21)9-10-20(23)18-7-6-8-19(22)16-18;/h6-12,14-16H,2-5,13H2,1H3;1H/b10-9+;