2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylmethoxyphenyl)ethanone bromide

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylmethoxyphenyl)ethanone bromide Openeye Name: 1-(4-benzyloxyphenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(4-phenylmethoxyphenyl)ethanone bromide IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylmethoxyphenyl)ethanone bromide Traditional Name: 1-(4-benzoxyphenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H23N2O2.BrH/c1-23(2)20-12-14-24(15-13-20)16-22(25)19-8-10-21(11-9-19)26-17-18-6-4-3-5-7-18;/h3-15H,16-17H2,1-2H3;1H/q+1;/p-1