N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-(4-ethanoylphenoxy)ethanamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-(4-ethanoylphenoxy)ethanamide Openeye Name: 2-(4-acetylphenoxy)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]acetamide CAS Name: 2-(4-acetylphenoxy)-N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(4-acetylphenoxy)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]acetamide Traditional Name: 2-(4-acetylphenoxy)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]acetamide Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)NCC2=C([NH+]=CC=C2)N(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)NCC2=C([NH+]=CC=C2)N(C)C

InChI

InChI=1S/C18H21N3O3/c1-13(22)14-6-8-16(9-7-14)24-12-17(23)20-11-15-5-4-10-19-18(15)21(2)3/h4-10H,11-12H2,1-3H3,(H,20,23)/p+1