ethyl 4-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4/c1-2-29-23(28)19-8-10-20(11-9-19)24-21(26)16-25-14-12-18(13-15-25)22(27)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3/p+1