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

Systemtic Name: ethyl 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H18N3O4+ MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-2-24-17(23)12-5-7-14(8-6-12)19-15(21)11-20-9-3-4-13(10-20)16(18)22/h3-10H,2,11H2,1H3,(H2-,18,19,21,22,23)/p+1