dimethyl 2-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H21N2O5+ MolecularWeight: 405.42324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5/c1-29-22(27)17-10-11-19(23(28)30-2)20(13-17)24-21(26)15-25-12-6-9-18(14-25)16-7-4-3-5-8-16/h3-14H,15H2,1-2H3/p+1