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

Systemtic Name: (E)-3-(1-hexadecylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(1-hexadecylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-(1-hexadecyl-4-pyridin-1-iumyl)-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(1-hexadecylpyridin-1-ium-4-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-(1-cetylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one Formula: C30H44NO+ MolecularWeight: 434.67646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-31-26-23-28(24-27-31)21-22-30(32)29-19-16-15-17-20-29/h15-17,19-24,26-27H,2-14,18,25H2,1H3/q+1/b22-21+