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

Systemtic Name: (E)-1-(3-hydroxyphenyl)-3-(1-octadecylpyridin-1-ium-4-yl)prop-2-en-1-one bromide Openeye Name: (E)-1-(3-hydroxyphenyl)-3-(1-octadecylpyridin-1-ium-4-yl)prop-2-en-1-one bromide CAS Name: (E)-1-(3-hydroxyphenyl)-3-(1-octadecyl-4-pyridin-1-iumyl)-2-propen-1-one bromide IUPAC Name: (E)-1-(3-hydroxyphenyl)-3-(1-octadecylpyridin-1-ium-4-yl)prop-2-en-1-one bromide Traditional Name: (E)-1-(3-hydroxyphenyl)-3-(1-stearylpyridin-1-ium-4-yl)prop-2-en-1-one bromide Formula: C32H48BrNO2 MolecularWeight: 558.63302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-33-26-23-29(24-27-33)21-22-32(35)30-19-18-20-31(34)28-30;/h18-24,26-28H,2-17,25H2,1H3;1H/b22-21+;