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

Systemtic Name: (E)-3-(1-hexadecylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-hexadecylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(1-hexadecyl-4-pyridin-1-iumyl)-1-(3-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-hexadecylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-cetylpyridin-1-ium-4-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one Formula: C30H44NO2+ MolecularWeight: 450.67586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-31-24-21-27(22-25-31)19-20-30(33)28-17-16-18-29(32)26-28/h16-22,24-26H,2-15,23H2,1H3/p+1/b20-19+