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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2-phenylmethoxyphenyl)ethanone bromide Openeye Name: 1-(2-benzyloxyphenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(2-phenylmethoxyphenyl)ethanone bromide IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2-phenylmethoxyphenyl)ethanone bromide Traditional Name: 1-(2-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=CC=C2OCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2OCC3=CC=CC=C3.[Br-]

InChI

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