3-(1-hexadecylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide

Systemtic Name: 3-(1-hexadecylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide Openeye Name: 3-(1-hexadecylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide CAS Name: 3-(1-hexadecyl-4-pyridin-1-iumyl)-1,5-diphenylpentane-1,5-dione iodide IUPAC Name: 3-(1-hexadecylpyridin-1-ium-4-yl)-1,5-diphenylpentane-1,5-dione iodide Traditional Name: 3-(1-cetylpyridin-1-ium-4-yl)-1,5-diphenyl-pentane-1,5-dione iodide Formula: C38H52INO2 MolecularWeight: 681.72945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C38H52NO2.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-39-29-26-33(27-30-39)36(31-37(40)34-22-17-15-18-23-34)32-38(41)35-24-19-16-20-25-35;/h15-20,22-27,29-30,36H,2-14,21,28,31-32H2,1H3;1H/q+1;/p-1