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

Systemtic Name: (E)-3-(1-octadecylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(1-octadecylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-(1-octadecyl-4-pyridin-1-iumyl)-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(1-octadecylpyridin-1-ium-4-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-1-phenyl-3-(1-stearylpyridin-1-ium-4-yl)prop-2-en-1-one Formula: C32H48NO+ MolecularWeight: 462.72962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-33-28-25-30(26-29-33)23-24-32(34)31-21-18-17-19-22-31/h17-19,21-26,28-29H,2-16,20,27H2,1H3/q+1/b24-23+