1-(4-phenylmethoxyphenyl)-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-phenylmethoxyphenyl)-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-benzyloxyphenyl)-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-phenylmethoxyphenyl)-2-(2-propyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-phenylmethoxyphenyl)-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-benzoxyphenyl)-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide Formula: C23H24BrNO2 MolecularWeight: 426.34616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H24NO2.BrH/c1-2-8-21-11-6-7-16-24(21)17-23(25)20-12-14-22(15-13-20)26-18-19-9-4-3-5-10-19;/h3-7,9-16H,2,8,17-18H2,1H3;1H/q+1;/p-1