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

Systemtic Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(1-hexyl-4-pyridin-1-iumyl)-1-(3-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one Formula: C20H24NO2+ MolecularWeight: 310.41006

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2/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/p+1/b10-9+