1-[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(dimethylamino)-1-pyridin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H21N2O2/c1-13(20)14-5-6-17(21-4)15(11-14)12-19-9-7-16(8-10-19)18(2)3/h5-11H,12H2,1-4H3/q+1