methyl 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C16H16N3O4+ MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4/c1-23-16(22)11-4-6-13(7-5-11)18-14(20)10-19-8-2-3-12(9-19)15(17)21/h2-9H,10H2,1H3,(H2-,17,18,20,21,22)/p+1