methyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H17N2O4+ MolecularWeight: 313.32788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H16N2O4/c1-12(20)13-6-5-9-19(10-13)11-16(21)18-15-8-4-3-7-14(15)17(22)23-2/h3-10H,11H2,1-2H3/p+1