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

Systemtic Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-(1-hexyl-4-pyridin-1-iumyl)-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-(1-hexylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one Formula: C20H24NO+ MolecularWeight: 294.41066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO/c1-2-3-4-8-15-21-16-13-18(14-17-21)11-12-20(22)19-9-6-5-7-10-19/h5-7,9-14,16-17H,2-4,8,15H2,1H3/q+1/b12-11+