dimethyl 5-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H23N2O5+ MolecularWeight: 419.44982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H22N2O5/c1-30-23(28)19-13-20(24(29)31-2)15-21(14-19)25-22(27)16-26-10-8-18(9-11-26)12-17-6-4-3-5-7-17/h3-11,13-15H,12,16H2,1-2H3/p+1